3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide

C16H15N3O2 — CID 104741318

IUPAC3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1N)c1cc2ccccc2o1
InChIInChI=1S/C16H15N3O2/c1-10(14-9-11-5-2-3-7-13(11)21-14)19-16(20)15-12(17)6-4-8-18-15/h2-10H,17H2,1H3,(H,19,20)
InChIKeyGOXOJEAJHDFSKI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide

3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 104741318) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID104741318
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1N)c1cc2ccccc2o1
InChIInChI=1S/C16H15N3O2/c1-10(14-9-11-5-2-3-7-13(11)21-14)19-16(20)15-12(17)6-4-8-18-15/h2-10H,17H2,1H3,(H,19,20)
InChIKeyGOXOJEAJHDFSKI-UHFFFAOYSA-N
XLogP2.90
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 126771688
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide (CID 104741318) is 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ncccc1N)c1cc2ccccc2o1.
What is the InChIKey of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is GOXOJEAJHDFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(14-9-11-5-2-3-7-13(11)21-14)19-16(20)15-12(17)6-4-8-18-15/h2-10H,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide?
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).