2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

C32H41N5O2 — CID 126644715

IUPAC2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3ccc(CN4CCC(N)CC4)cc3)cnc2N)cc1C
InChIInChI=1S/C32H41N5O2/c1-21-6-7-24(16-22(21)2)20-39-30-5-3-4-29(30)36-32(38)28-17-26(18-35-31(28)34)25-10-8-23(9-11-25)19-37-14-12-27(33)13-15-37/h6-11,16-18,27,29-30H,3-5,12-15,19-20,33H2,1-2H3,(H2,34,35)(H,36,38)/t29-,30-/m0/s1
InChIKeyJYGNSEDSXXDPSV-KYJUHHDHSA-N
MW527.71 g/mol
LogP4.74
Rot. Bonds8

About 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (PubChem CID 126644715) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
PubChem CID126644715
Molecular FormulaC32H41N5O2
Molecular Weight527.71 g/mol
Exact Mass527.33
IUPAC Name2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3ccc(CN4CCC(N)CC4)cc3)cnc2N)cc1C
InChIInChI=1S/C32H41N5O2/c1-21-6-7-24(16-22(21)2)20-39-30-5-3-4-29(30)36-32(38)28-17-26(18-35-31(28)34)25-10-8-23(9-11-25)19-37-14-12-27(33)13-15-37/h6-11,16-18,27,29-30H,3-5,12-15,19-20,33H2,1-2H3,(H2,34,35)(H,36,38)/t29-,30-/m0/s1
InChIKeyJYGNSEDSXXDPSV-KYJUHHDHSA-N
XLogP4.74
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.71
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (CID 126644715) is 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3ccc(CN4CCC(N)CC4)cc3)cnc2N)cc1C.
What is the InChIKey of 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is JYGNSEDSXXDPSV-KYJUHHDHSA-N. The full InChI is InChI=1S/C32H41N5O2/c1-21-6-7-24(16-22(21)2)20-39-30-5-3-4-29(30)36-32(38)28-17-26(18-35-31(28)34)25-10-8-23(9-11-25)19-37-14-12-27(33)13-15-37/h6-11,16-18,27,29-30H,3-5,12-15,19-20,33H2,1-2H3,(H2,34,35)(H,36,38)/t29-,30-/m0/s1.
What are the key properties of 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 126644715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).