5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

C26H30N6O2 — CID 10139326

IUPAC5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCn1cnc2c1CC(C(=O)Nc1ccc(N3CCCCC3=O)cc1)N(c1cccc(CN)c1)C2
InChIInChI=1S/C26H30N6O2/c1-30-17-28-22-16-32(21-6-4-5-18(13-21)15-27)24(14-23(22)30)26(34)29-19-8-10-20(11-9-19)31-12-3-2-7-25(31)33/h4-6,8-11,13,17,24H,2-3,7,12,14-16,27H2,1H3,(H,29,34)
InChIKeyWWXFSOZSEUPRQO-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.97
Rot. Bonds5

About 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 10139326) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID10139326
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCn1cnc2c1CC(C(=O)Nc1ccc(N3CCCCC3=O)cc1)N(c1cccc(CN)c1)C2
InChIInChI=1S/C26H30N6O2/c1-30-17-28-22-16-32(21-6-4-5-18(13-21)15-27)24(14-23(22)30)26(34)29-19-8-10-20(11-9-19)31-12-3-2-7-25(31)33/h4-6,8-11,13,17,24H,2-3,7,12,14-16,27H2,1H3,(H,29,34)
InChIKeyWWXFSOZSEUPRQO-UHFFFAOYSA-N
XLogP2.97
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-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

5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide
CID 12018210
2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337127
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-(N-[3-(aminomethyl)phenyl]-4-fluoroanilino)-3-[4-(2-oxopiperidin-1-yl)phenyl]urea
CID 10388923
2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid
CID 10228430
(2S)-2-[3-(aminomethyl)anilino]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124637563
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
2-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclobutane-1,2-dicarboxamide
CID 167890277
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
CID 12018193
3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 142170139

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (CID 10139326) is 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is Cn1cnc2c1CC(C(=O)Nc1ccc(N3CCCCC3=O)cc1)N(c1cccc(CN)c1)C2.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WWXFSOZSEUPRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-30-17-28-22-16-32(21-6-4-5-18(13-21)15-27)24(14-23(22)30)26(34)29-19-8-10-20(11-9-19)31-12-3-2-7-25(31)33/h4-6,8-11,13,17,24H,2-3,7,12,14-16,27H2,1H3,(H,29,34).
What are the key properties of 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 10139326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).