2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

C19H17ClN4O — CID 109172025

IUPAC2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccncc3)ccn2)cc1Cl
InChIInChI=1S/C19H17ClN4O/c1-13-2-3-16(11-17(13)20)24-18-10-15(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)
InChIKeyPFPNJNZQUUIFNP-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.11
Rot. Bonds5

About 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 109172025) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID109172025
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccncc3)ccn2)cc1Cl
InChIInChI=1S/C19H17ClN4O/c1-13-2-3-16(11-17(13)20)24-18-10-15(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)
InChIKeyPFPNJNZQUUIFNP-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

2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169934
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171051
2-(3,4-difluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169969
N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109172063
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086609
2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172019
2-[2-(dimethylamino)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109167796

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 109172025) is 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccncc3)ccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is PFPNJNZQUUIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-2-3-16(11-17(13)20)24-18-10-15(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-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
2-(3-chloro-4-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-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109172025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).