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

C19H17ClN4O — CID 109172024

IUPAC2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C19H17ClN4O/c1-13-10-16(20)2-3-17(13)24-18-11-15(6-9-22-18)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyRTUMQOQMMLNXLI-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.11
Rot. Bonds5

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

2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 109172024) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID109172024
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C19H17ClN4O/c1-13-10-16(20)2-3-17(13)24-18-11-15(6-9-22-18)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyRTUMQOQMMLNXLI-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

N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172019
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109173893
2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169934
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 109172024) is 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is Cc1cc(Cl)ccc1Nc1cc(C(=O)NCc2ccncc2)ccn1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is RTUMQOQMMLNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-10-16(20)2-3-17(13)24-18-11-15(6-9-22-18)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 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-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 2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109172024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).