N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide

C19H22N2O3 — CID 146105531

IUPACN-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2c(o1)CCCC2)N(CC1CCCO1)c1ccncc1
InChIInChI=1S/C19H22N2O3/c22-19(18-12-14-4-1-2-6-17(14)24-18)21(13-16-5-3-11-23-16)15-7-9-20-10-8-15/h7-10,12,16H,1-6,11,13H2
InChIKeyKDTPOLKHLKTRFH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.38
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide

N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (PubChem CID 146105531) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
PubChem CID146105531
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2c(o1)CCCC2)N(CC1CCCO1)c1ccncc1
InChIInChI=1S/C19H22N2O3/c22-19(18-12-14-4-1-2-6-17(14)24-18)21(13-16-5-3-11-23-16)15-7-9-20-10-8-15/h7-10,12,16H,1-6,11,13H2
InChIKeyKDTPOLKHLKTRFH-UHFFFAOYSA-N
XLogP3.38
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547592
5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 96547612
5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
CID 126829951
N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylindolizine-2-carboxamide
CID 95777230
N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 129370507
2-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547608
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
(E)-3-(3-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylprop-2-enamide
CID 95769389
1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 52520502
5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 90648755

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CID 146105531) is N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is O=C(c1cc2c(o1)CCCC2)N(CC1CCCO1)c1ccncc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The InChIKey is KDTPOLKHLKTRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(18-12-14-4-1-2-6-17(14)24-18)21(13-16-5-3-11-23-16)15-7-9-20-10-8-15/h7-10,12,16H,1-6,11,13H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 146105531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).