1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C25H34N4O2 — CID 55930537

IUPAC1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-18-15-23(19(2)29(18)22-8-4-3-5-9-22)25(31)28-13-10-21(11-14-28)24(30)27-17-20-7-6-12-26-16-20/h6-7,12,15-16,21-22H,3-5,8-11,13-14,17H2,1-2H3,(H,27,30)
InChIKeyHFZPYXPGUDHAQX-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.17
Rot. Bonds5

About 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 55930537) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID55930537
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-18-15-23(19(2)29(18)22-8-4-3-5-9-22)25(31)28-13-10-21(11-14-28)24(30)27-17-20-7-6-12-26-16-20/h6-7,12,15-16,21-22H,3-5,8-11,13-14,17H2,1-2H3,(H,27,30)
InChIKeyHFZPYXPGUDHAQX-UHFFFAOYSA-N
XLogP4.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-(5-nitro-2-piperidin-1-ylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55853197
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506587
1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601176
N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide
CID 112821228
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601232

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 55930537) is 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HFZPYXPGUDHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-18-15-23(19(2)29(18)22-8-4-3-5-9-22)25(31)28-13-10-21(11-14-28)24(30)27-17-20-7-6-12-26-16-20/h6-7,12,15-16,21-22H,3-5,8-11,13-14,17H2,1-2H3,(H,27,30).
What are the key properties of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55930537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).