N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide

C12H16N4O3 — CID 173252408

IUPACN-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide
SMILESCC(C[C@@H](C=O)NC(=O)c1ccccn1)C(=O)NN
InChIInChI=1S/C12H16N4O3/c1-8(11(18)16-13)6-9(7-17)15-12(19)10-4-2-3-5-14-10/h2-5,7-9H,6,13H2,1H3,(H,15,19)(H,16,18)/t8?,9-/m0/s1
InChIKeyVECQITDVHGUPNI-GKAPJAKFSA-N
MW264.29 g/mol
LogP-0.61
Rot. Bonds6

About N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide

N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide (PubChem CID 173252408) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide
PubChem CID173252408
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide
SMILESCC(C[C@@H](C=O)NC(=O)c1ccccn1)C(=O)NN
InChIInChI=1S/C12H16N4O3/c1-8(11(18)16-13)6-9(7-17)15-12(19)10-4-2-3-5-14-10/h2-5,7-9H,6,13H2,1H3,(H,15,19)(H,16,18)/t8?,9-/m0/s1
InChIKeyVECQITDVHGUPNI-GKAPJAKFSA-N
XLogP-0.61
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 134998602
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
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-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
N-[(2S)-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 88930226
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
N-[1-(2,6-dipropylphenyl)ethyl]pyridine-2-carboxamide
CID 135058789
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-[(2S)-2-amino-3-hydroxypropanoyl]pyridine-2-carboxamide
CID 54423977
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide (CID 173252408) is N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide is CC(C[C@@H](C=O)NC(=O)c1ccccn1)C(=O)NN.
What is the InChIKey of N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide?
The InChIKey is VECQITDVHGUPNI-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(11(18)16-13)6-9(7-17)15-12(19)10-4-2-3-5-14-10/h2-5,7-9H,6,13H2,1H3,(H,15,19)(H,16,18)/t8?,9-/m0/s1.
What are the key properties of N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide?
N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide has a molecular weight of 264.29 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-hydrazinyl-4-methyl-1,5-dioxopentan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 173252408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).