N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide

C26H39N5O3S — CID 11306629

IUPACN-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
SMILESCCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC2CC2C)nc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C26H39N5O3S/c1-5-6-12-22(27)23(14-19-10-8-7-9-11-19)29-26(32)20-15-24(28-17-21-13-18(21)2)30-25(16-20)31(3)35(4,33)34/h7-11,15-16,18,21-23H,5-6,12-14,17,27H2,1-4H3,(H,28,30)(H,29,32)/t18?,21?,22-,23-/m0/s1
InChIKeyNWXMMDTWUBTQIQ-GZAPNMDCSA-N
MW501.70 g/mol
LogP3.40
Rot. Bonds13

About N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide

N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide (PubChem CID 11306629) has the molecular formula C26H39N5O3S and a molecular weight of 501.70 g/mol. Its IUPAC name is N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
PubChem CID11306629
Molecular FormulaC26H39N5O3S
Molecular Weight501.70 g/mol
Exact Mass501.28
IUPAC NameN-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
SMILESCCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC2CC2C)nc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C26H39N5O3S/c1-5-6-12-22(27)23(14-19-10-8-7-9-11-19)29-26(32)20-15-24(28-17-21-13-18(21)2)30-25(16-20)31(3)35(4,33)34/h7-11,15-16,18,21-23H,5-6,12-14,17,27H2,1-4H3,(H,28,30)(H,29,32)/t18?,21?,22-,23-/m0/s1
InChIKeyNWXMMDTWUBTQIQ-GZAPNMDCSA-N
XLogP3.40
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-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 N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide (CID 11306629) is N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide is CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC2CC2C)nc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
The InChIKey is NWXMMDTWUBTQIQ-GZAPNMDCSA-N. The full InChI is InChI=1S/C26H39N5O3S/c1-5-6-12-22(27)23(14-19-10-8-7-9-11-19)29-26(32)20-15-24(28-17-21-13-18(21)2)30-25(16-20)31(3)35(4,33)34/h7-11,15-16,18,21-23H,5-6,12-14,17,27H2,1-4H3,(H,28,30)(H,29,32)/t18?,21?,22-,23-/m0/s1.
What are the key properties of N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide has a molecular weight of 501.70 g/mol, XLogP of 3.40, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 11306629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).