6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C24H30N6O3 — CID 91159866

IUPAC6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(N2CC(CNC(=O)c3ccc(N)nc3)CC2=O)cc1)N1CCCC1
InChIInChI=1S/C24H30N6O3/c1-16(29-10-2-3-11-29)23(32)28-19-5-7-20(8-6-19)30-15-17(12-22(30)31)13-27-24(33)18-4-9-21(25)26-14-18/h4-9,14,16-17H,2-3,10-13,15H2,1H3,(H2,25,26)(H,27,33)(H,28,32)
InChIKeyLHMFRQYRABJWGJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.87
Rot. Bonds7

About 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 91159866) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID91159866
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(N2CC(CNC(=O)c3ccc(N)nc3)CC2=O)cc1)N1CCCC1
InChIInChI=1S/C24H30N6O3/c1-16(29-10-2-3-11-29)23(32)28-19-5-7-20(8-6-19)30-15-17(12-22(30)31)13-27-24(33)18-4-9-21(25)26-14-18/h4-9,14,16-17H,2-3,10-13,15H2,1H3,(H2,25,26)(H,27,33)(H,28,32)
InChIKeyLHMFRQYRABJWGJ-UHFFFAOYSA-N
XLogP1.87
TPSA120.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-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-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 91031871
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
CID 18447622
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide
CID 18447621
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 62162133
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 91159866) is 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CC(C(=O)Nc1ccc(N2CC(CNC(=O)c3ccc(N)nc3)CC2=O)cc1)N1CCCC1.
What is the InChIKey of 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LHMFRQYRABJWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16(29-10-2-3-11-29)23(32)28-19-5-7-20(8-6-19)30-15-17(12-22(30)31)13-27-24(33)18-4-9-21(25)26-14-18/h4-9,14,16-17H,2-3,10-13,15H2,1H3,(H2,25,26)(H,27,33)(H,28,32).
What are the key properties of 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91159866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).