2-(2-phenoxyethylamino)pyridine-3-carboxamide

C14H15N3O2 — CID 34013927

IUPAC2-(2-phenoxyethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCOc1ccccc1
InChIInChI=1S/C14H15N3O2/c15-13(18)12-7-4-8-16-14(12)17-9-10-19-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,15,18)(H,16,17)
InChIKeyIEXNRAGJHCKSKB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.67
Rot. Bonds6

About 2-(2-phenoxyethylamino)pyridine-3-carboxamide

2-(2-phenoxyethylamino)pyridine-3-carboxamide (PubChem CID 34013927) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-phenoxyethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-phenoxyethylamino)pyridine-3-carboxamide
PubChem CID34013927
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2-phenoxyethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCOc1ccccc1
InChIInChI=1S/C14H15N3O2/c15-13(18)12-7-4-8-16-14(12)17-9-10-19-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,15,18)(H,16,17)
InChIKeyIEXNRAGJHCKSKB-UHFFFAOYSA-N
XLogP1.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
2-(2-phenoxyethyl)benzamide
CID 68945309
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(2-phenoxyethylamino)pyridine-3-carboxamide (CID 34013927) is 2-(2-phenoxyethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-phenoxyethylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-phenoxyethylamino)pyridine-3-carboxamide is NC(=O)c1cccnc1NCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethylamino)pyridine-3-carboxamide?
The InChIKey is IEXNRAGJHCKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13(18)12-7-4-8-16-14(12)17-9-10-19-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,15,18)(H,16,17).
What are the key properties of 2-(2-phenoxyethylamino)pyridine-3-carboxamide?
2-(2-phenoxyethylamino)pyridine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 34013927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).