N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide

C17H20N6O3 — CID 146575761

IUPACN-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cnccn1)C(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C17H20N6O3/c1-11(2)9-13(21-16(25)14-10-19-7-8-20-14)17(26)23-22-15(24)12-3-5-18-6-4-12/h3-8,10-11,13H,9H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)/t13-/m0/s1
InChIKeyMAYKZUWPUMMGJT-ZDUSSCGKSA-N
MW356.39 g/mol
LogP0.48
Rot. Bonds6

About N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide (PubChem CID 146575761) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide
PubChem CID146575761
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cnccn1)C(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C17H20N6O3/c1-11(2)9-13(21-16(25)14-10-19-7-8-20-14)17(26)23-22-15(24)12-3-5-18-6-4-12/h3-8,10-11,13H,9H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)/t13-/m0/s1
InChIKeyMAYKZUWPUMMGJT-ZDUSSCGKSA-N
XLogP0.48
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]pyrazine-2-carboxamide
CID 146576189
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
N-(1-amino-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 63888138
N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide
CID 149109819
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[(2S)-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 88930226
methyl-[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]borinic acid
CID 58700730
[(1R)-1-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 50899661
[(1R)-1-[[(2R,5S)-2-benzyl-7-methyl-4-oxo-5-(pyrazine-2-carbonylamino)octanoyl]amino]-3-methylbutyl]boronic acid
CID 146983323
N'-(4-methylpentan-2-yl)pyridine-4-carbohydrazide
CID 27512

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide (CID 146575761) is N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide is CC(C)C[C@H](NC(=O)c1cnccn1)C(=O)NNC(=O)c1ccncc1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide?
The InChIKey is MAYKZUWPUMMGJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-11(2)9-13(21-16(25)14-10-19-7-8-20-14)17(26)23-22-15(24)12-3-5-18-6-4-12/h3-8,10-11,13H,9H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)/t13-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146575761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).