4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

C25H29N5O2 — CID 42670444

IUPAC4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3cccnc3)c(N(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C25H29N5O2/c1-30(20-8-4-3-5-9-20)24-22(25(31)28-16-18-7-6-14-26-15-18)17-27-23(29-24)19-10-12-21(32-2)13-11-19/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31)
InChIKeyXBXVZKKZRKBBKF-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.25
Rot. Bonds7

About 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 42670444) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID42670444
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3cccnc3)c(N(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C25H29N5O2/c1-30(20-8-4-3-5-9-20)24-22(25(31)28-16-18-7-6-14-26-15-18)17-27-23(29-24)19-10-12-21(32-2)13-11-19/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31)
InChIKeyXBXVZKKZRKBBKF-UHFFFAOYSA-N
XLogP4.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[4-[(cycloheptylamino)methyl]phenyl]phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 139943894
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 42822200
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037601
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19114688
2-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18883985
1-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818182
4-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24718045
4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
CID 93138203

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (CID 42670444) is 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCc3cccnc3)c(N(C)C3CCCCC3)n2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is XBXVZKKZRKBBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-30(20-8-4-3-5-9-20)24-22(25(31)28-16-18-7-6-14-26-15-18)17-27-23(29-24)19-10-12-21(32-2)13-11-19/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31).
What are the key properties of 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).