N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide

C17H15N3O3 — CID 97263112

IUPACN-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccn1
InChIInChI=1S/C17H15N3O3/c1-11(16(21)20-15-8-4-5-9-18-15)19-17(22)14-10-12-6-2-3-7-13(12)23-14/h2-11H,1H3,(H,19,22)(H,18,20,21)/t11-/m1/s1
InChIKeyBDBMVIUVNMIICB-LLVKDONJSA-N
MW309.33 g/mol
LogP2.58
Rot. Bonds4

About N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide

N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 97263112) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID97263112
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccn1
InChIInChI=1S/C17H15N3O3/c1-11(16(21)20-15-8-4-5-9-18-15)19-17(22)14-10-12-6-2-3-7-13(12)23-14/h2-11H,1H3,(H,19,22)(H,18,20,21)/t11-/m1/s1
InChIKeyBDBMVIUVNMIICB-LLVKDONJSA-N
XLogP2.58
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 175058891
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-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 6459983

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide (CID 97263112) is N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccn1.
What is the InChIKey of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BDBMVIUVNMIICB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(16(21)20-15-8-4-5-9-18-15)19-17(22)14-10-12-6-2-3-7-13(12)23-14/h2-11H,1H3,(H,19,22)(H,18,20,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97263112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).