N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide

C11H16N4O2 — CID 76940244

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)CC(N)=NO
InChIInChI=1S/C11H16N4O2/c1-7-4-3-5-13-10(7)11(16)14-8(2)6-9(12)15-17/h3-5,8,17H,6H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyBKVXFWSEPOUSGP-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.64
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide (PubChem CID 76940244) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
PubChem CID76940244
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)CC(N)=NO
InChIInChI=1S/C11H16N4O2/c1-7-4-3-5-13-10(7)11(16)14-8(2)6-9(12)15-17/h3-5,8,17H,6H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyBKVXFWSEPOUSGP-UHFFFAOYSA-N
XLogP0.64
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.64
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-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dimethylbenzamide
CID 76934608
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-methylpyridine-2-carboxamide
CID 77038548
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
3-methyl-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 81479287
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylthiophene-2-carboxamide
CID 76934806
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide (CID 76940244) is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide?
The InChIKey is BKVXFWSEPOUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-4-3-5-13-10(7)11(16)14-8(2)6-9(12)15-17/h3-5,8,17H,6H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 76940244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).