N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide

C20H19N3O2S — CID 54760783

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide
SMILESCc1csc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cn2)c1
InChIInChI=1S/C20H19N3O2S/c1-13-9-18(26-12-13)16-8-7-15(11-22-16)20(25)23-17(19(21)24)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1
InChIKeyPOJQBEFVRWYHSK-KRWDZBQOSA-N
MW365.46 g/mol
LogP2.94
Rot. Bonds6

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide (PubChem CID 54760783) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide
PubChem CID54760783
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide
SMILESCc1csc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cn2)c1
InChIInChI=1S/C20H19N3O2S/c1-13-9-18(26-12-13)16-8-7-15(11-22-16)20(25)23-17(19(21)24)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1
InChIKeyPOJQBEFVRWYHSK-KRWDZBQOSA-N
XLogP2.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)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 N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide (CID 54760783) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide is Cc1csc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cn2)c1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is POJQBEFVRWYHSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-9-18(26-12-13)16-8-7-15(11-22-16)20(25)23-17(19(21)24)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 54760783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).