N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide

C12H18N4O2 — CID 76927706

IUPACN-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1ccc(C)nc1
InChIInChI=1S/C12H18N4O2/c1-3-6-16(8-11(13)15-18)12(17)10-5-4-9(2)14-7-10/h4-5,7,18H,3,6,8H2,1-2H3,(H2,13,15)
InChIKeyYTTXVMFOELBWOF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.99
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide (PubChem CID 76927706) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide
PubChem CID76927706
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1ccc(C)nc1
InChIInChI=1S/C12H18N4O2/c1-3-6-16(8-11(13)15-18)12(17)10-5-4-9(2)14-7-10/h4-5,7,18H,3,6,8H2,1-2H3,(H2,13,15)
InChIKeyYTTXVMFOELBWOF-UHFFFAOYSA-N
XLogP0.99
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
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-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
N-(2-amino-2-hydroxyiminoethyl)-3,4-difluoro-N-propylbenzamide
CID 76927636
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
CID 76983799
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 51330638
N-(2-amino-2-hydroxyiminoethyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 76945669
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
CID 106863360
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
6-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide (CID 76927706) is N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide is CCCN(CC(N)=NO)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide?
The InChIKey is YTTXVMFOELBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-6-16(8-11(13)15-18)12(17)10-5-4-9(2)14-7-10/h4-5,7,18H,3,6,8H2,1-2H3,(H2,13,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 76927706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).