[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid

C9H11N3O2 — CID 88517112

IUPAC[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
SMILESCC(=NNC(=O)O)c1ccc(C)nc1
InChIInChI=1S/C9H11N3O2/c1-6-3-4-8(5-10-6)7(2)11-12-9(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyJVRKPBRCQKQDMP-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.38
Rot. Bonds2

About [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid

[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid (PubChem CID 88517112) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid.

Molecular Properties

Compound Name[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
PubChem CID88517112
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
SMILESCC(=NNC(=O)O)c1ccc(C)nc1
InChIInChI=1S/C9H11N3O2/c1-6-3-4-8(5-10-6)7(2)11-12-9(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyJVRKPBRCQKQDMP-UHFFFAOYSA-N
XLogP1.38
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid 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

6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-methylpyridine-3-carboxamide
CID 5370928
(NZ)-N-[1-(6-methyl-3-pyridinyl)ethylidene]hydroxylamine
CID 5355190
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide
CID 14987487
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
1-(6-methyl-3-pyridinyl)ethanethione
CID 56619669
6-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)pyridine-3-carboxamide
CID 3645060
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid?
The IUPAC name of [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid (CID 88517112) is [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid.
What is the SMILES notation for [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid?
The canonical SMILES for [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid is CC(=NNC(=O)O)c1ccc(C)nc1.
What is the InChIKey of [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid?
The InChIKey is JVRKPBRCQKQDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-3-4-8(5-10-6)7(2)11-12-9(13)14/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid?
[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid has a molecular weight of 193.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid is sourced from PubChem (CID 88517112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).