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

C19H19N5O — CID 109307362

IUPAC2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)NCc3cccnc3)n2)c1
InChIInChI=1S/C19H19N5O/c1-13-5-6-14(2)17(10-13)24-19-21-9-7-16(23-19)18(25)22-12-15-4-3-8-20-11-15/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyZQDNZWUXAQEUDY-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.16
Rot. Bonds5

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

2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307362) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307362
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)NCc3cccnc3)n2)c1
InChIInChI=1S/C19H19N5O/c1-13-5-6-14(2)17(10-13)24-19-21-9-7-16(23-19)18(25)22-12-15-4-3-8-20-11-15/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyZQDNZWUXAQEUDY-UHFFFAOYSA-N
XLogP3.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109307431
2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311869
2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304398
methyl 3-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109307412
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109307362) is 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(C)c(Nc2nccc(C(=O)NCc3cccnc3)n2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZQDNZWUXAQEUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-5-6-14(2)17(10-13)24-19-21-9-7-16(23-19)18(25)22-12-15-4-3-8-20-11-15/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).