4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide

C13H15N3O2 — CID 163446096

IUPAC4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC2=CC=C(N)CC2)ccn1
InChIInChI=1S/C13H15N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2,4,6-8H,3,5,14H2,1H3,(H,15,17)
InChIKeyBCQNRDKTIJTBEH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds3

About 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide

4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide (PubChem CID 163446096) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide
PubChem CID163446096
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC2=CC=C(N)CC2)ccn1
InChIInChI=1S/C13H15N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2,4,6-8H,3,5,14H2,1H3,(H,15,17)
InChIKeyBCQNRDKTIJTBEH-UHFFFAOYSA-N
XLogP1.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[(6-amino-5-ethyl-3-pyridinyl)oxy]-N-methylpyridine-2-carboxamide
CID 169032834
ethane;N-methylethenamine;N-methyl-4-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexa-1,3-dien-1-yl]oxypyridine-2-carboxamide
CID 142815541
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
CID 107672806
4-(4-cyclopropyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 154794734
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide (CID 163446096) is 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(OC2=CC=C(N)CC2)ccn1.
What is the InChIKey of 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide?
The InChIKey is BCQNRDKTIJTBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2,4,6-8H,3,5,14H2,1H3,(H,15,17).
What are the key properties of 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide?
4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexa-1,3-dien-1-yl)oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 163446096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).