N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide

C18H17N3O3 — CID 175058891

IUPACN-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)C(=O)NCc1ccncc1
InChIInChI=1S/C18H17N3O3/c1-12(17(22)20-11-13-6-8-19-9-7-13)21-18(23)16-10-14-4-2-3-5-15(14)24-16/h2-10,12H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyCDLLDWGCGCODNS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.26
Rot. Bonds5

About N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide

N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 175058891) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID175058891
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)C(=O)NCc1ccncc1
InChIInChI=1S/C18H17N3O3/c1-12(17(22)20-11-13-6-8-19-9-7-13)21-18(23)16-10-14-4-2-3-5-15(14)24-16/h2-10,12H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyCDLLDWGCGCODNS-UHFFFAOYSA-N
XLogP2.26
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 97263112
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
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-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565
N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193774
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide (CID 175058891) is N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2ccccc2o1)C(=O)NCc1ccncc1.
What is the InChIKey of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is CDLLDWGCGCODNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(17(22)20-11-13-6-8-19-9-7-13)21-18(23)16-10-14-4-2-3-5-15(14)24-16/h2-10,12H,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 175058891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).