2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C18H17N5O — CID 109259140

IUPAC2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NCc3ccncc3)cn2)c1
InChIInChI=1S/C18H17N5O/c1-13-3-2-4-16(9-13)23-18-21-11-15(12-22-18)17(24)20-10-14-5-7-19-8-6-14/h2-9,11-12H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyQTBMQRZTVKTBQW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.85
Rot. Bonds5

About 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109259140) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109259140
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NCc3ccncc3)cn2)c1
InChIInChI=1S/C18H17N5O/c1-13-3-2-4-16(9-13)23-18-21-11-15(12-22-18)17(24)20-10-14-5-7-19-8-6-14/h2-9,11-12H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyQTBMQRZTVKTBQW-UHFFFAOYSA-N
XLogP2.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259214
N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109255870

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109259140) is 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)NCc3ccncc3)cn2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is QTBMQRZTVKTBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-3-2-4-16(9-13)23-18-21-11-15(12-22-18)17(24)20-10-14-5-7-19-8-6-14/h2-9,11-12H,10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).