N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide

C25H28N4O4 — CID 50765425

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCCN(C(=O)c3cccn3-c3cccnc3)C2)c1
InChIInChI=1S/C25H28N4O4/c1-32-21-9-10-23(33-2)19(14-21)15-27-24(30)18-6-4-12-28(17-18)25(31)22-8-5-13-29(22)20-7-3-11-26-16-20/h3,5,7-11,13-14,16,18H,4,6,12,15,17H2,1-2H3,(H,27,30)
InChIKeyXXMNICVHLDWSJA-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.06
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 50765425) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
PubChem CID50765425
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCCN(C(=O)c3cccn3-c3cccnc3)C2)c1
InChIInChI=1S/C25H28N4O4/c1-32-21-9-10-23(33-2)19(14-21)15-27-24(30)18-6-4-12-28(17-18)25(31)22-8-5-13-29(22)20-7-3-11-26-16-20/h3,5,7-11,13-14,16,18H,4,6,12,15,17H2,1-2H3,(H,27,30)
InChIKeyXXMNICVHLDWSJA-UHFFFAOYSA-N
XLogP3.06
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-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-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765409
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 95064495
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53004626
N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53024421
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 71839287
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 42813188
N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 6624432

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide (CID 50765425) is N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCCN(C(=O)c3cccn3-c3cccnc3)C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is XXMNICVHLDWSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-32-21-9-10-23(33-2)19(14-21)15-27-24(30)18-6-4-12-28(17-18)25(31)22-8-5-13-29(22)20-7-3-11-26-16-20/h3,5,7-11,13-14,16,18H,4,6,12,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 50765425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).