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

C26H31N3O2 — CID 142279647

IUPAC4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c[nH]c(C)c1C(=O)NCC1CCC(c2ccnc(C)c2)CC1
InChIInChI=1S/C26H31N3O2/c1-17-14-21(12-13-27-17)20-10-8-19(9-11-20)15-29-26(30)25-18(2)28-16-23(25)22-6-4-5-7-24(22)31-3/h4-7,12-14,16,19-20,28H,8-11,15H2,1-3H3,(H,29,30)
InChIKeyTZUVDVSFVFNQBR-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.41
Rot. Bonds6

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

4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142279647) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID142279647
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c[nH]c(C)c1C(=O)NCC1CCC(c2ccnc(C)c2)CC1
InChIInChI=1S/C26H31N3O2/c1-17-14-21(12-13-27-17)20-10-8-19(9-11-20)15-29-26(30)25-18(2)28-16-23(25)22-6-4-5-7-24(22)31-3/h4-7,12-14,16,19-20,28H,8-11,15H2,1-3H3,(H,29,30)
InChIKeyTZUVDVSFVFNQBR-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

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

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Related Compounds

4-(2-methoxyphenyl)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1,3-oxazole-5-carboxamide
CID 142279911
2-methyl-N-[(4-phenylcyclohexyl)methyl]-4-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142279659
4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane
CID 145078476
2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
CID 142280261
4-(4,5-difluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279803
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 50950516
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279830

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide (CID 142279647) is 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide is COc1ccccc1-c1c[nH]c(C)c1C(=O)NCC1CCC(c2ccnc(C)c2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is TZUVDVSFVFNQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-17-14-21(12-13-27-17)20-10-8-19(9-11-20)15-29-26(30)25-18(2)28-16-23(25)22-6-4-5-7-24(22)31-3/h4-7,12-14,16,19-20,28H,8-11,15H2,1-3H3,(H,29,30).
What are the key properties of 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-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 4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142279647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).