N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide

C16H13ClF3N3O2 — CID 162376969

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2[nH]c(=O)ccc2C1
InChIInChI=1S/C16H13ClF3N3O2/c17-12-3-2-10(7-11(12)16(18,19)20)21-15(25)23-6-5-13-9(8-23)1-4-14(24)22-13/h1-4,7H,5-6,8H2,(H,21,25)(H,22,24)
InChIKeyPPZKDWFSKCZKMJ-UHFFFAOYSA-N
MW371.75 g/mol
LogP3.64
Rot. Bonds1

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide (PubChem CID 162376969) has the molecular formula C16H13ClF3N3O2 and a molecular weight of 371.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide
PubChem CID162376969
Molecular FormulaC16H13ClF3N3O2
Molecular Weight371.75 g/mol
Exact Mass371.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2[nH]c(=O)ccc2C1
InChIInChI=1S/C16H13ClF3N3O2/c17-12-3-2-10(7-11(12)16(18,19)20)21-15(25)23-6-5-13-9(8-23)1-4-14(24)22-13/h1-4,7H,5-6,8H2,(H,21,25)(H,22,24)
InChIKeyPPZKDWFSKCZKMJ-UHFFFAOYSA-N
XLogP3.64
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 162376952
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide;methane
CID 162206911
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide;methane
CID 160554517
N-[3-chloro-4-(trifluoromethyl)phenyl]-7-hydroxy-3,4-dihydro-1H-2,7-naphthyridin-7-ium-2-carboxamide
CID 168788207
N-[3-chloro-4-(trifluoromethyl)phenyl]-6-oxido-3,4-dihydro-1H-2,6-naphthyridin-6-ium-2-carboxamide
CID 162376913
(1S,5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155911832
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 58902269
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958892
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919783
3-[4-chloro-3-(trifluoromethyl)anilino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109024505

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide (CID 162376969) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2[nH]c(=O)ccc2C1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide?
The InChIKey is PPZKDWFSKCZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O2/c17-12-3-2-10(7-11(12)16(18,19)20)21-15(25)23-6-5-13-9(8-23)1-4-14(24)22-13/h1-4,7H,5-6,8H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide has a molecular weight of 371.75 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 162376969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).