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

C25H30N4O — CID 46333861

IUPACN-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)cc1C
InChIInChI=1S/C25H30N4O/c1-17-7-10-22(16-18(17)2)27-25(30)21-11-14-28(15-12-21)24-23(6-5-13-26-24)29-19(3)8-9-20(29)4/h5-10,13,16,21H,11-12,14-15H2,1-4H3,(H,27,30)
InChIKeyOMRKJOWEZDNNNU-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.96
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 46333861) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID46333861
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)cc1C
InChIInChI=1S/C25H30N4O/c1-17-7-10-22(16-18(17)2)27-25(30)21-11-14-28(15-12-21)24-23(6-5-13-26-24)29-19(3)8-9-20(29)4/h5-10,13,16,21H,11-12,14-15H2,1-4H3,(H,27,30)
InChIKeyOMRKJOWEZDNNNU-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-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333866
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 46333852
N-cyclopentyl-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333849
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46333856
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 46333861) is N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is OMRKJOWEZDNNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-17-7-10-22(16-18(17)2)27-25(30)21-11-14-28(15-12-21)24-23(6-5-13-26-24)29-19(3)8-9-20(29)4/h5-10,13,16,21H,11-12,14-15H2,1-4H3,(H,27,30).
What are the key properties of N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-(3,4-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-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 46333861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).