N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide

C18H18N2O4 — CID 86267084

IUPACN-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(C)(O)c2cc3ccccc3o2)c1=O
InChIInChI=1S/C18H18N2O4/c1-18(23,15-10-12-6-3-4-8-14(12)24-15)11-19-16(21)13-7-5-9-20(2)17(13)22/h3-10,23H,11H2,1-2H3,(H,19,21)
InChIKeyIPHICOZPTJYSSV-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.77
Rot. Bonds4

About N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 86267084) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID86267084
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(C)(O)c2cc3ccccc3o2)c1=O
InChIInChI=1S/C18H18N2O4/c1-18(23,15-10-12-6-3-4-8-14(12)24-15)11-19-16(21)13-7-5-9-20(2)17(13)22/h3-10,23H,11H2,1-2H3,(H,19,21)
InChIKeyIPHICOZPTJYSSV-UHFFFAOYSA-N
XLogP1.77
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 99999920
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999455
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99999937
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
CID 99999850
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-oxochromene-3-carboxamide
CID 95984367

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 86267084) is N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCC(C)(O)c2cc3ccccc3o2)c1=O.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is IPHICOZPTJYSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-18(23,15-10-12-6-3-4-8-14(12)24-15)11-19-16(21)13-7-5-9-20(2)17(13)22/h3-10,23H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 86267084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).