N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide

C20H18N2O3 — CID 119105261

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)C1CCc2ccccc2O1
InChIInChI=1S/C20H18N2O3/c23-20(19-8-6-15-3-1-2-4-18(15)25-19)22-12-14-5-7-17(21-11-14)16-9-10-24-13-16/h1-5,7,9-11,13,19H,6,8,12H2,(H,22,23)
InChIKeyQSGGGWCKJRCGKP-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds4

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 119105261) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID119105261
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)C1CCc2ccccc2O1
InChIInChI=1S/C20H18N2O3/c23-20(19-8-6-15-3-1-2-4-18(15)25-19)22-12-14-5-7-17(21-11-14)16-9-10-24-13-16/h1-5,7,9-11,13,19H,6,8,12H2,(H,22,23)
InChIKeyQSGGGWCKJRCGKP-UHFFFAOYSA-N
XLogP3.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122246123
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea
CID 121022475
2-(1,2-benzoxazol-3-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 119105233
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 90649003
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035

Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 119105261) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NCc1ccc(-c2ccoc2)nc1)C1CCc2ccccc2O1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is QSGGGWCKJRCGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-20(19-8-6-15-3-1-2-4-18(15)25-19)22-12-14-5-7-17(21-11-14)16-9-10-24-13-16/h1-5,7,9-11,13,19H,6,8,12H2,(H,22,23).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 119105261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).