2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide

C26H31N3O2 — CID 142280261

IUPAC2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1[nH]c(C)cc1C(=O)NCC1CCC(c2cnccc2C)CC1
InChIInChI=1S/C26H31N3O2/c1-17-12-13-27-16-23(17)20-10-8-19(9-11-20)15-28-26(30)22-14-18(2)29-25(22)21-6-4-5-7-24(21)31-3/h4-7,12-14,16,19-20,29H,8-11,15H2,1-3H3,(H,28,30)
InChIKeyYLVQCNPAVFCHDD-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.41
Rot. Bonds6

About 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide

2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142280261) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID142280261
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1[nH]c(C)cc1C(=O)NCC1CCC(c2cnccc2C)CC1
InChIInChI=1S/C26H31N3O2/c1-17-12-13-27-16-23(17)20-10-8-19(9-11-20)15-28-26(30)22-14-18(2)29-25(22)21-6-4-5-7-24(21)31-3/h4-7,12-14,16,19-20,29H,8-11,15H2,1-3H3,(H,28,30)
InChIKeyYLVQCNPAVFCHDD-UHFFFAOYSA-N
XLogP5.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142279952
2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
CID 142279925
4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
CID 142279647
4-(2-methoxyphenyl)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1,3-oxazole-5-carboxamide
CID 142279911
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 124607965
N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 142280096
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide
CID 67959677
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
CID 171362054

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide (CID 142280261) is 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide is COc1ccccc1-c1[nH]c(C)cc1C(=O)NCC1CCC(c2cnccc2C)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is YLVQCNPAVFCHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-17-12-13-27-16-23(17)20-10-8-19(9-11-20)15-28-26(30)22-14-18(2)29-25(22)21-6-4-5-7-24(21)31-3/h4-7,12-14,16,19-20,29H,8-11,15H2,1-3H3,(H,28,30).
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142280261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).