N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide

C20H18F3N5O — CID 134518216

IUPACN-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc2c(c1)CCNC2
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)16-3-1-2-13(6-16)10-28-11-18(26-12-28)27-19(29)15-7-14-4-5-24-9-17(14)25-8-15/h1-3,6-8,11-12,24H,4-5,9-10H2,(H,27,29)
InChIKeyXVSGPRJXSUOHEY-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.24
Rot. Bonds4

About N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide

N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (PubChem CID 134518216) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
PubChem CID134518216
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc2c(c1)CCNC2
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)16-3-1-2-13(6-16)10-28-11-18(26-12-28)27-19(29)15-7-14-4-5-24-9-17(14)25-8-15/h1-3,6-8,11-12,24H,4-5,9-10H2,(H,27,29)
InChIKeyXVSGPRJXSUOHEY-UHFFFAOYSA-N
XLogP3.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518256
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 134518215
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233156
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383
5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233338
N-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbaldehyde
CID 145217364
2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
CID 129205666
4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
CID 134525338
N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 166366227
N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 135209359

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (CID 134518216) is N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is O=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc2c(c1)CCNC2.
What is the InChIKey of N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The InChIKey is XVSGPRJXSUOHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)16-3-1-2-13(6-16)10-28-11-18(26-12-28)27-19(29)15-7-14-4-5-24-9-17(14)25-8-15/h1-3,6-8,11-12,24H,4-5,9-10H2,(H,27,29).
What are the key properties of N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 134518216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).