N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

C9H12ClN5O2 — CID 62243041

IUPACN-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(NN)c1)C(N)=O
InChIInChI=1S/C9H12ClN5O2/c1-4(8(11)16)13-9(17)5-2-6(10)14-7(3-5)15-12/h2-4H,12H2,1H3,(H2,11,16)(H,13,17)(H,14,15)
InChIKeyUMQONCOOXIVMSV-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.38
Rot. Bonds4

About N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (PubChem CID 62243041) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
PubChem CID62243041
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(NN)c1)C(N)=O
InChIInChI=1S/C9H12ClN5O2/c1-4(8(11)16)13-9(17)5-2-6(10)14-7(3-5)15-12/h2-4H,12H2,1H3,(H2,11,16)(H,13,17)(H,14,15)
InChIKeyUMQONCOOXIVMSV-UHFFFAOYSA-N
XLogP-0.38
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 62248978
2-chloro-6-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 62242233
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
CID 62236411
2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 62238242
N-(1-amino-1-oxopropan-2-yl)-2-hydrazinylpyridine-4-carboxamide
CID 62242876
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 79231949
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 62241576

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (CID 62243041) is N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)nc(NN)c1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is UMQONCOOXIVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c1-4(8(11)16)13-9(17)5-2-6(10)14-7(3-5)15-12/h2-4H,12H2,1H3,(H2,11,16)(H,13,17)(H,14,15).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 257.68 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 62243041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).