N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide

C13H18N4O2 — CID 90983709

IUPACN-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide
SMILESC/C(N)=N\C(=O)C(C)(C)NC(=O)c1ncccc1C
InChIInChI=1S/C13H18N4O2/c1-8-6-5-7-15-10(8)11(18)17-13(3,4)12(19)16-9(2)14/h5-7H,1-4H3,(H,17,18)(H2,14,16,19)
InChIKeyYXKHCQCUQZXXTM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.80
Rot. Bonds3

About N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide

N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide (PubChem CID 90983709) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide
PubChem CID90983709
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide
SMILESC/C(N)=N\C(=O)C(C)(C)NC(=O)c1ncccc1C
InChIInChI=1S/C13H18N4O2/c1-8-6-5-7-15-10(8)11(18)17-13(3,4)12(19)16-9(2)14/h5-7H,1-4H3,(H,17,18)(H2,14,16,19)
InChIKeyYXKHCQCUQZXXTM-UHFFFAOYSA-N
XLogP0.80
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940182
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate
CID 19855252
N-tert-butyl-3-[2-(3-chlorophenyl)ethyl]pyridine-2-carboxamide;N-tert-butyl-3-methylpyridine-2-carboxamide
CID 159745684
4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 120532284
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N'-amino-3-methylpyridine-2-carboximidamide
CID 69377303

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide (CID 90983709) is N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide is C/C(N)=N\C(=O)C(C)(C)NC(=O)c1ncccc1C.
What is the InChIKey of N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is YXKHCQCUQZXXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-6-5-7-15-10(8)11(18)17-13(3,4)12(19)16-9(2)14/h5-7H,1-4H3,(H,17,18)(H2,14,16,19).
What are the key properties of N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide?
N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 90983709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).