1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide

C21H27N3O2 — CID 126768610

IUPAC1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)c1ccc(C)n1C
InChIInChI=1S/C21H27N3O2/c1-14-6-5-11-24(13-14)21(26)17-8-9-18(15(2)12-17)22-20(25)19-10-7-16(3)23(19)4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,22,25)
InChIKeyNUEYGHOMUHRQEN-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.77
Rot. Bonds3

About 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide (PubChem CID 126768610) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
PubChem CID126768610
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)c1ccc(C)n1C
InChIInChI=1S/C21H27N3O2/c1-14-6-5-11-24(13-14)21(26)17-8-9-18(15(2)12-17)22-20(25)19-10-7-16(3)23(19)4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,22,25)
InChIKeyNUEYGHOMUHRQEN-UHFFFAOYSA-N
XLogP3.77
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea
CID 95266911
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090311
N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119753458
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 95249728
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527
[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 51094040

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide (CID 126768610) is 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide is Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)c1ccc(C)n1C.
What is the InChIKey of 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is NUEYGHOMUHRQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-6-5-11-24(13-14)21(26)17-8-9-18(15(2)12-17)22-20(25)19-10-7-16(3)23(19)4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,22,25).
What are the key properties of 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 126768610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).