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

C27H31N5O2 — CID 12018210

IUPAC5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCn1ccc2c1CC(C(=O)Nc1ccc(N3CCCCC3=O)cc1)N(c1cccc(CN)c1)C2
InChIInChI=1S/C27H31N5O2/c1-30-14-12-20-18-32(23-6-4-5-19(15-23)17-28)25(16-24(20)30)27(34)29-21-8-10-22(11-9-21)31-13-3-2-7-26(31)33/h4-6,8-12,14-15,25H,2-3,7,13,16-18,28H2,1H3,(H,29,34)
InChIKeyFGKPQBQFPBAJRZ-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.57
Rot. Bonds5

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

5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 12018210) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID12018210
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCn1ccc2c1CC(C(=O)Nc1ccc(N3CCCCC3=O)cc1)N(c1cccc(CN)c1)C2
InChIInChI=1S/C27H31N5O2/c1-30-14-12-20-18-32(23-6-4-5-19(15-23)17-28)25(16-24(20)30)27(34)29-21-8-10-22(11-9-21)31-13-3-2-7-26(31)33/h4-6,8-12,14-15,25H,2-3,7,13,16-18,28H2,1H3,(H,29,34)
InChIKeyFGKPQBQFPBAJRZ-UHFFFAOYSA-N
XLogP3.57
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
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-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337429
1-(3-ethylphenyl)-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111080466
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
2-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclobutane-1,2-dicarboxamide
CID 167890277
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-pyrrolo[3,2-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-pyrrolo[3,2-c]pyridine-6-carboxamide (CID 12018210) is 5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-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-pyrrolo[3,2-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-pyrrolo[3,2-c]pyridine-6-carboxamide is Cn1ccc2c1CC(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-pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is FGKPQBQFPBAJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-30-14-12-20-18-32(23-6-4-5-19(15-23)17-28)25(16-24(20)30)27(34)29-21-8-10-22(11-9-21)31-13-3-2-7-26(31)33/h4-6,8-12,14-15,25H,2-3,7,13,16-18,28H2,1H3,(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-pyrrolo[3,2-c]pyridine-6-carboxamide?
5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 12018210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).