N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide

C25H30N4O — CID 46333866

IUPACN-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)c1
InChIInChI=1S/C25H30N4O/c1-17-14-18(2)16-22(15-17)27-25(30)21-9-12-28(13-10-21)24-23(6-5-11-26-24)29-19(3)7-8-20(29)4/h5-8,11,14-16,21H,9-10,12-13H2,1-4H3,(H,27,30)
InChIKeySWZKAXQISVSGQS-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.96
Rot. Bonds4

About N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide

N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 46333866) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID46333866
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)c1
InChIInChI=1S/C25H30N4O/c1-17-14-18(2)16-22(15-17)27-25(30)21-9-12-28(13-10-21)24-23(6-5-11-26-24)29-19(3)7-8-20(29)4/h5-8,11,14-16,21H,9-10,12-13H2,1-4H3,(H,27,30)
InChIKeySWZKAXQISVSGQS-UHFFFAOYSA-N
XLogP4.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333861
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 46333852
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
N-cyclopentyl-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333849
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46333856
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062142
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 155546978
N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-(3,5-dimethylphenyl)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
CID 20920237

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 46333866) is N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide is Cc1cc(C)cc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is SWZKAXQISVSGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-17-14-18(2)16-22(15-17)27-25(30)21-9-12-28(13-10-21)24-23(6-5-11-26-24)29-19(3)7-8-20(29)4/h5-8,11,14-16,21H,9-10,12-13H2,1-4H3,(H,27,30).
What are the key properties of N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 46333866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).