N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide

C13H15N3O — CID 71084186

IUPACN-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)C1C=CC=C(N)C1
InChIInChI=1S/C13H15N3O/c1-16(11-6-4-5-10(14)9-11)13(17)12-7-2-3-8-15-12/h2-8,11H,9,14H2,1H3
InChIKeyQFPLQBGPPUGQGU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.32
Rot. Bonds2

About N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide

N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide (PubChem CID 71084186) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide
PubChem CID71084186
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)C1C=CC=C(N)C1
InChIInChI=1S/C13H15N3O/c1-16(11-6-4-5-10(14)9-11)13(17)12-7-2-3-8-15-12/h2-8,11H,9,14H2,1H3
InChIKeyQFPLQBGPPUGQGU-UHFFFAOYSA-N
XLogP1.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide (CID 71084186) is N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccccn1)C1C=CC=C(N)C1.
What is the InChIKey of N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is QFPLQBGPPUGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(11-6-4-5-10(14)9-11)13(17)12-7-2-3-8-15-12/h2-8,11H,9,14H2,1H3.
What are the key properties of N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide?
N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71084186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).