4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C19H17ClN4O — CID 109213313

IUPAC4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H17ClN4O/c1-13-10-15(20)2-3-17(13)24-16-6-9-22-18(11-16)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyPZGQOFNGXMQNSL-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.11
Rot. Bonds5

About 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213313) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109213313
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H17ClN4O/c1-13-10-15(20)2-3-17(13)24-16-6-9-22-18(11-16)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyPZGQOFNGXMQNSL-UHFFFAOYSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213355
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213382
4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216419
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109213313) is 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is Cc1cc(Cl)ccc1Nc1ccnc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is PZGQOFNGXMQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-10-15(20)2-3-17(13)24-16-6-9-22-18(11-16)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).