N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide

C11H15ClN4O2 — CID 77135153

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1Cl)C(N)=NO
InChIInChI=1S/C11H15ClN4O2/c1-6(2)9(10(13)16-18)15-11(17)7-3-4-14-5-8(7)12/h3-6,9,18H,1-2H3,(H2,13,16)(H,15,17)
InChIKeySFDIGTSIKQTTSK-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.24
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide (PubChem CID 77135153) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
PubChem CID77135153
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1Cl)C(N)=NO
InChIInChI=1S/C11H15ClN4O2/c1-6(2)9(10(13)16-18)15-11(17)7-3-4-14-5-8(7)12/h3-6,9,18H,1-2H3,(H2,13,16)(H,15,17)
InChIKeySFDIGTSIKQTTSK-UHFFFAOYSA-N
XLogP1.24
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-chloro-2-fluorobenzamide
CID 81262458
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042436
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide (CID 77135153) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide is CC(C)C(NC(=O)c1ccncc1Cl)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
The InChIKey is SFDIGTSIKQTTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-6(2)9(10(13)16-18)15-11(17)7-3-4-14-5-8(7)12/h3-6,9,18H,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 77135153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).