N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide

C20H15N3O2 — CID 121197126

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C20H15N3O2/c24-20(18-8-7-15-4-1-2-5-17(15)23-18)22-12-14-10-16(13-21-11-14)19-6-3-9-25-19/h1-11,13H,12H2,(H,22,24)
InChIKeyWNHPQWBGDKWBPU-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.82
Rot. Bonds4

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide (PubChem CID 121197126) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
PubChem CID121197126
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C20H15N3O2/c24-20(18-8-7-15-4-1-2-5-17(15)23-18)22-12-14-10-16(13-21-11-14)19-6-3-9-25-19/h1-11,13H,12H2,(H,22,24)
InChIKeyWNHPQWBGDKWBPU-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121197168
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-phenylmethoxyacetamide
CID 121197178

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide (CID 121197126) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide is O=C(NCc1cncc(-c2ccco2)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The InChIKey is WNHPQWBGDKWBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(18-8-7-15-4-1-2-5-17(15)23-18)22-12-14-10-16(13-21-11-14)19-6-3-9-25-19/h1-11,13H,12H2,(H,22,24).
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 121197126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).