5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide

C12H11ClN2O2 — CID 82109082

IUPAC5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(CCl)o2)c1
InChIInChI=1S/C12H11ClN2O2/c1-8-4-5-14-11(6-8)15-12(16)10-3-2-9(7-13)17-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyRIRZJYUYEXVAGP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.97
Rot. Bonds3

About 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide

5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide (PubChem CID 82109082) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
PubChem CID82109082
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(CCl)o2)c1
InChIInChI=1S/C12H11ClN2O2/c1-8-4-5-14-11(6-8)15-12(16)10-3-2-9(7-13)17-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyRIRZJYUYEXVAGP-UHFFFAOYSA-N
XLogP2.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-pyridinyl)-5-ethylfuran-2-carboxamide
CID 115626699
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712
2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24538060
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
2-isocyano-N-(4-methyl-2-pyridinyl)acetamide
CID 108814872
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
2-methyl-N-(4-methyl-2-pyridinyl)-5-propan-2-ylfuran-3-carboxamide
CID 146086183
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide (CID 82109082) is 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide is Cc1ccnc(NC(=O)c2ccc(CCl)o2)c1.
What is the InChIKey of 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The InChIKey is RIRZJYUYEXVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-4-5-14-11(6-8)15-12(16)10-3-2-9(7-13)17-10/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 82109082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).