4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide

C111H89ClN18O13 — CID 158787339

IUPAC4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide
SMILESCCc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.COc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(Cc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(CCl)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc2ccccc2c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H15N3O2.C19H17N3O2.C18H14ClN3O2.C18H15N3O3.C18H15N3O2.C17H13N3O2/c25-20(17-6-5-14-3-1-2-4-16(14)11-17)24-19-12-18(13-23-21(19)26)15-7-9-22-10-8-15;1-2-13-3-5-15(6-4-13)18(23)22-17-11-16(12-21-19(17)24)14-7-9-20-10-8-14;19-10-12-1-3-14(4-2-12)17(23)22-16-9-15(11-21-18(16)24)13-5-7-20-8-6-13;1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;22-17(10-13-4-2-1-3-5-13)21-16-11-15(12-20-18(16)23)14-6-8-19-9-7-14;21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-13H,(H,23,26)(H,24,25);3-12H,2H2,1H3,(H,21,24)(H,22,23);1-9,11H,10H2,(H,21,24)(H,22,23);2-11H,1H3,(H,20,23)(H,21,22);1-9,11-12H,10H2,(H,20,23)(H,21,22);1-11H,(H,19,22)(H,20,21)
InChIKeyIRVPXQLOCZWHGQ-UHFFFAOYSA-N
MW1918.50 g/mol
LogP18.53
Rot. Bonds22

About 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide

4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide (PubChem CID 158787339) has the molecular formula C111H89ClN18O13 and a molecular weight of 1918.50 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide
PubChem CID158787339
Molecular FormulaC111H89ClN18O13
Molecular Weight1918.50 g/mol
Exact Mass1916.65
IUPAC Name4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide
SMILESCCc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.COc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(Cc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(CCl)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc2ccccc2c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H15N3O2.C19H17N3O2.C18H14ClN3O2.C18H15N3O3.C18H15N3O2.C17H13N3O2/c25-20(17-6-5-14-3-1-2-4-16(14)11-17)24-19-12-18(13-23-21(19)26)15-7-9-22-10-8-15;1-2-13-3-5-15(6-4-13)18(23)22-17-11-16(12-21-19(17)24)14-7-9-20-10-8-14;19-10-12-1-3-14(4-2-12)17(23)22-16-9-15(11-21-18(16)24)13-5-7-20-8-6-13;1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;22-17(10-13-4-2-1-3-5-13)21-16-11-15(12-20-18(16)23)14-6-8-19-9-7-14;21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-13H,(H,23,26)(H,24,25);3-12H,2H2,1H3,(H,21,24)(H,22,23);1-9,11H,10H2,(H,21,24)(H,22,23);2-11H,1H3,(H,20,23)(H,21,22);1-9,11-12H,10H2,(H,20,23)(H,21,22);1-11H,(H,19,22)(H,20,21)
InChIKeyIRVPXQLOCZWHGQ-UHFFFAOYSA-N
XLogP18.53
TPSA458.33 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.50
LogP ≤ 518.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?
The IUPAC name of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide (CID 158787339) is 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide is CCc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.COc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(Cc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(CCl)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc2ccccc2c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?
The InChIKey is IRVPXQLOCZWHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2.C19H17N3O2.C18H14ClN3O2.C18H15N3O3.C18H15N3O2.C17H13N3O2/c25-20(17-6-5-14-3-1-2-4-16(14)11-17)24-19-12-18(13-23-21(19)26)15-7-9-22-10-8-15;1-2-13-3-5-15(6-4-13)18(23)22-17-11-16(12-21-19(17)24)14-7-9-20-10-8-14;19-10-12-1-3-14(4-2-12)17(23)22-16-9-15(11-21-18(16)24)13-5-7-20-8-6-13;1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;22-17(10-13-4-2-1-3-5-13)21-16-11-15(12-20-18(16)23)14-6-8-19-9-7-14;21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-13H,(H,23,26)(H,24,25);3-12H,2H2,1H3,(H,21,24)(H,22,23);1-9,11H,10H2,(H,21,24)(H,22,23);2-11H,1H3,(H,20,23)(H,21,22);1-9,11-12H,10H2,(H,20,23)(H,21,22);1-11H,(H,19,22)(H,20,21).
What are the key properties of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?
4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide has a molecular weight of 1918.50 g/mol, XLogP of 18.53, 22 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-ethyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)naphthalene-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 158787339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).