4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide

C15H15N3O2 — CID 62232678

IUPAC4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NCC2Cc3ccccc3O2)c1
InChIInChI=1S/C15H15N3O2/c16-11-5-6-17-13(8-11)15(19)18-9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9H2,(H2,16,17)(H,18,19)
InChIKeyJIOLWKMJRUIMOS-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.40
Rot. Bonds3

About 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide

4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 62232678) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
PubChem CID62232678
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NCC2Cc3ccccc3O2)c1
InChIInChI=1S/C15H15N3O2/c16-11-5-6-17-13(8-11)15(19)18-9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9H2,(H2,16,17)(H,18,19)
InChIKeyJIOLWKMJRUIMOS-UHFFFAOYSA-N
XLogP1.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 38305931
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
CID 62233203
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375386
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37298431
5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 63719130
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090066
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 53499843

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide (CID 62232678) is 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide is Nc1ccnc(C(=O)NCC2Cc3ccccc3O2)c1.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is JIOLWKMJRUIMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-11-5-6-17-13(8-11)15(19)18-9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9H2,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62232678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).