N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

C20H19N5O3 — CID 131927307

IUPACN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccccn3)nc2)cc1C(=O)N(C)C
InChIInChI=1S/C20H19N5O3/c1-25(2)20(27)15-10-14(7-8-17(15)28-3)24-19(26)13-11-22-18(23-12-13)16-6-4-5-9-21-16/h4-12H,1-3H3,(H,24,26)
InChIKeyHKLUVKWFGFFFIR-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.50
Rot. Bonds5

About N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 131927307) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID131927307
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccccn3)nc2)cc1C(=O)N(C)C
InChIInChI=1S/C20H19N5O3/c1-25(2)20(27)15-10-14(7-8-17(15)28-3)24-19(26)13-11-22-18(23-12-13)16-6-4-5-9-21-16/h4-12H,1-3H3,(H,24,26)
InChIKeyHKLUVKWFGFFFIR-UHFFFAOYSA-N
XLogP2.50
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide
CID 131944597
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131937130
2-methoxy-N,N-dimethyl-5-[(4-propoxybenzoyl)amino]benzamide
CID 131921286
2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
CID 74241829
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131939884
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 131903692
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064937
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 131927307) is N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(-c3ccccn3)nc2)cc1C(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is HKLUVKWFGFFFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-25(2)20(27)15-10-14(7-8-17(15)28-3)24-19(26)13-11-22-18(23-12-13)16-6-4-5-9-21-16/h4-12H,1-3H3,(H,24,26).
What are the key properties of N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 131927307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).