6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C17H14ClN5O — CID 109350057

IUPAC6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C17H14ClN5O/c18-13-5-1-2-6-14(13)23-16-8-15(21-11-22-16)17(24)20-10-12-4-3-7-19-9-12/h1-9,11H,10H2,(H,20,24)(H,21,22,23)
InChIKeyXPIGMZDWNVZRDV-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.20
Rot. Bonds5

About 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109350057) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109350057
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C17H14ClN5O/c18-13-5-1-2-6-14(13)23-16-8-15(21-11-22-16)17(24)20-10-12-4-3-7-19-9-12/h1-9,11H,10H2,(H,20,24)(H,21,22,23)
InChIKeyXPIGMZDWNVZRDV-UHFFFAOYSA-N
XLogP3.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032
N-(2-chlorophenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349914
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350063
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109350057) is 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1cccnc1)c1cc(Nc2ccccc2Cl)ncn1.
What is the InChIKey of 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is XPIGMZDWNVZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-5-1-2-6-14(13)23-16-8-15(21-11-22-16)17(24)20-10-12-4-3-7-19-9-12/h1-9,11H,10H2,(H,20,24)(H,21,22,23).
What are the key properties of 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).