5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide

C16H13N3O2 — CID 63719130

IUPAC5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCC2Cc3ccccc3O2)nc1
InChIInChI=1S/C16H13N3O2/c17-8-11-5-6-14(18-9-11)16(20)19-10-13-7-12-3-1-2-4-15(12)21-13/h1-6,9,13H,7,10H2,(H,19,20)
InChIKeyIKRADFWZGJPKCU-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.69
Rot. Bonds3

About 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide

5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 63719130) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
PubChem CID63719130
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCC2Cc3ccccc3O2)nc1
InChIInChI=1S/C16H13N3O2/c17-8-11-5-6-14(18-9-11)16(20)19-10-13-7-12-3-1-2-4-15(12)21-13/h1-6,9,13H,7,10H2,(H,19,20)
InChIKeyIKRADFWZGJPKCU-UHFFFAOYSA-N
XLogP1.69
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 97065065
2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 62233556
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 86877169
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide (CID 63719130) is 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCC2Cc3ccccc3O2)nc1.
What is the InChIKey of 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is IKRADFWZGJPKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-8-11-5-6-14(18-9-11)16(20)19-10-13-7-12-3-1-2-4-15(12)21-13/h1-6,9,13H,7,10H2,(H,19,20).
What are the key properties of 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide?
5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63719130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).