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

C18H16ClN5O — CID 109307099

IUPAC2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)NCc3ccccn3)n2)cc1Cl
InChIInChI=1S/C18H16ClN5O/c1-12-5-6-13(10-15(12)19)23-18-21-9-7-16(24-18)17(25)22-11-14-4-2-3-8-20-14/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyANRRPEWKBGPWGE-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.51
Rot. Bonds5

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

2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307099) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307099
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)NCc3ccccn3)n2)cc1Cl
InChIInChI=1S/C18H16ClN5O/c1-12-5-6-13(10-15(12)19)23-18-21-9-7-16(24-18)17(25)22-11-14-4-2-3-8-20-14/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyANRRPEWKBGPWGE-UHFFFAOYSA-N
XLogP3.51
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307141
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-(3-chloro-4-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308656
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307139
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109307099) is 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)NCc3ccccn3)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ANRRPEWKBGPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-12-5-6-13(10-15(12)19)23-18-21-9-7-16(24-18)17(25)22-11-14-4-2-3-8-20-14/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).