(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

C20H24N4O3 — CID 124953550

IUPAC(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCn1cc(C(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)ccc1=O
InChIInChI=1S/C20H24N4O3/c1-22-13-16(7-8-18(22)25)20(27)24-12-11-23(17(14-24)19(21)26)10-9-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3,(H2,21,26)/t17-/m0/s1
InChIKeyDVXJNNFHSQDFOK-KRWDZBQOSA-N
MW368.44 g/mol
LogP0.24
Rot. Bonds5

About (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 124953550) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID124953550
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCn1cc(C(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)ccc1=O
InChIInChI=1S/C20H24N4O3/c1-22-13-16(7-8-18(22)25)20(27)24-12-11-23(17(14-24)19(21)26)10-9-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3,(H2,21,26)/t17-/m0/s1
InChIKeyDVXJNNFHSQDFOK-KRWDZBQOSA-N
XLogP0.24
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-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

4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 175658274
(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633580
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124997614
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658185
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 95804026
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (CID 124953550) is (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is Cn1cc(C(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)ccc1=O.
What is the InChIKey of (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is DVXJNNFHSQDFOK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-13-16(7-8-18(22)25)20(27)24-12-11-23(17(14-24)19(21)26)10-9-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3,(H2,21,26)/t17-/m0/s1.
What are the key properties of (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124953550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).