N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C15H15N3O2 — CID 62353915

IUPACN-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNCc1ccc(NC(=O)C2Cc3ccccc3O2)nc1
InChIInChI=1S/C15H15N3O2/c16-8-10-5-6-14(17-9-10)18-15(19)13-7-11-3-1-2-4-12(11)20-13/h1-6,9,13H,7-8,16H2,(H,17,18,19)
InChIKeyOYBSUAHUOQBZTC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.48
Rot. Bonds3

About N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 62353915) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID62353915
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNCc1ccc(NC(=O)C2Cc3ccccc3O2)nc1
InChIInChI=1S/C15H15N3O2/c16-8-10-5-6-14(17-9-10)18-15(19)13-7-11-3-1-2-4-12(11)20-13/h1-6,9,13H,7-8,16H2,(H,17,18,19)
InChIKeyOYBSUAHUOQBZTC-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119494479
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 119231000
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60804084
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114307272
(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95141743
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42936919

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 62353915) is N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide is NCc1ccc(NC(=O)C2Cc3ccccc3O2)nc1.
What is the InChIKey of N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is OYBSUAHUOQBZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-8-10-5-6-14(17-9-10)18-15(19)13-7-11-3-1-2-4-12(11)20-13/h1-6,9,13H,7-8,16H2,(H,17,18,19).
What are the key properties of N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62353915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).