N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide

C15H15ClN4O3 — CID 6724624

IUPACN-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C15H15ClN4O3/c16-11-3-1-10(2-4-11)7-19-14(22)13(9-21)20-15(23)12-8-17-5-6-18-12/h1-6,8,13,21H,7,9H2,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyPSIAYTGXRFJBSV-ZDUSSCGKSA-N
MW334.76 g/mol
LogP0.54
Rot. Bonds6

About N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide

N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 6724624) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
PubChem CID6724624
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC NameN-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C15H15ClN4O3/c16-11-3-1-10(2-4-11)7-19-14(22)13(9-21)20-15(23)12-8-17-5-6-18-12/h1-6,8,13,21H,7,9H2,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyPSIAYTGXRFJBSV-ZDUSSCGKSA-N
XLogP0.54
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 6667383
N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5130421
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
[(1R)-4-(4-hydroxyphenyl)-1-[[3-hydroxy-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 174051867
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 4190492
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
N-[(2S)-3-hydroxy-1-[4-[[(2S)-3-hydroxy-2-(pyridine-2-carbonylamino)propanoyl]amino]butylamino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 18666428
N-[3-(benzylamino)-3-oxo-1,2-dithiophen-2-ylpropyl]pyrazine-2-carboxamide
CID 21156827
N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide
CID 4623413

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 6724624) is N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide is O=C(N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1)c1cnccn1.
What is the InChIKey of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is PSIAYTGXRFJBSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c16-11-3-1-10(2-4-11)7-19-14(22)13(9-21)20-15(23)12-8-17-5-6-18-12/h1-6,8,13,21H,7,9H2,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 334.76 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 6724624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).