1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide

C24H32N4O2 — CID 71935809

IUPAC1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-17-16-22(18(2)28(17)21-6-4-3-5-7-21)23(29)26-20-10-14-27(15-11-20)24(30)19-8-12-25-13-9-19/h8-9,12-13,16,20-21H,3-7,10-11,14-15H2,1-2H3,(H,26,29)
InChIKeySHPBPRQRKVSWCL-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.04
Rot. Bonds4

About 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide

1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide (PubChem CID 71935809) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide
PubChem CID71935809
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-17-16-22(18(2)28(17)21-6-4-3-5-7-21)23(29)26-20-10-14-27(15-11-20)24(30)19-8-12-25-13-9-19/h8-9,12-13,16,20-21H,3-7,10-11,14-15H2,1-2H3,(H,26,29)
InChIKeySHPBPRQRKVSWCL-UHFFFAOYSA-N
XLogP4.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56569542
1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119425757
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119456498
1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
CID 47909167
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622789
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide (CID 71935809) is 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is SHPBPRQRKVSWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-16-22(18(2)28(17)21-6-4-3-5-7-21)23(29)26-20-10-14-27(15-11-20)24(30)19-8-12-25-13-9-19/h8-9,12-13,16,20-21H,3-7,10-11,14-15H2,1-2H3,(H,26,29).
What are the key properties of 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide?
1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 71935809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).