5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide

C20H17FN4O — CID 167747959

IUPAC5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCNc2ncccc21)c1cncc(-c2ccccc2F)c1
InChIInChI=1S/C20H17FN4O/c21-17-6-2-1-4-15(17)13-10-14(12-22-11-13)20(26)25-18-7-9-24-19-16(18)5-3-8-23-19/h1-6,8,10-12,18H,7,9H2,(H,23,24)(H,25,26)
InChIKeyTXWJZKJHIWNLNO-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.57
Rot. Bonds3

About 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide

5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide (PubChem CID 167747959) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide
PubChem CID167747959
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCNc2ncccc21)c1cncc(-c2ccccc2F)c1
InChIInChI=1S/C20H17FN4O/c21-17-6-2-1-4-15(17)13-10-14(12-22-11-13)20(26)25-18-7-9-24-19-16(18)5-3-8-23-19/h1-6,8,10-12,18H,7,9H2,(H,23,24)(H,25,26)
InChIKeyTXWJZKJHIWNLNO-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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BPKDi
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Imnopitant
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8-Amino-N-[1-(Cyclopropylcarbonyl)azetidin-3-Yl]-2-(3-Fluorophenyl)-1,7-Naphthyridine-5-Carboxamide
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2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725
2-Ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470726
5,11-Dihydro-11-ethyl-5-methyl-8-[2-(pyrid-4-yl)ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide (CID 167747959) is 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide is O=C(NC1CCNc2ncccc21)c1cncc(-c2ccccc2F)c1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is TXWJZKJHIWNLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-17-6-2-1-4-15(17)13-10-14(12-22-11-13)20(26)25-18-7-9-24-19-16(18)5-3-8-23-19/h1-6,8,10-12,18H,7,9H2,(H,23,24)(H,25,26).
What are the key properties of 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide?
5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167747959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).