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

C19H17F2N5O — CID 134518256

IUPACN-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cn(Cc2cc(F)cc(F)c2)cn1)c1cnc2c(c1)CCNC2
InChIInChI=1S/C19H17F2N5O/c20-15-3-12(4-16(21)6-15)9-26-10-18(24-11-26)25-19(27)14-5-13-1-2-22-8-17(13)23-7-14/h3-7,10-11,22H,1-2,8-9H2,(H,25,27)
InChIKeyUZEJKPLJUHOBRK-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.50
Rot. Bonds4

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

N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (PubChem CID 134518256) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
PubChem CID134518256
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cn(Cc2cc(F)cc(F)c2)cn1)c1cnc2c(c1)CCNC2
InChIInChI=1S/C19H17F2N5O/c20-15-3-12(4-16(21)6-15)9-26-10-18(24-11-26)25-19(27)14-5-13-1-2-22-8-17(13)23-7-14/h3-7,10-11,22H,1-2,8-9H2,(H,25,27)
InChIKeyUZEJKPLJUHOBRK-UHFFFAOYSA-N
XLogP2.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
N-[1-(pyridin-3-ylmethyl)imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209382
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383
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
6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129205685
N-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-[(3,4,5-trifluorophenyl)methyl]imidazole-4-carboxamide
CID 134518251
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
6-[(1-benzylimidazol-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 134518248
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
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-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 135209368

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (CID 134518256) is N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is O=C(Nc1cn(Cc2cc(F)cc(F)c2)cn1)c1cnc2c(c1)CCNC2.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The InChIKey is UZEJKPLJUHOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c20-15-3-12(4-16(21)6-15)9-26-10-18(24-11-26)25-19(27)14-5-13-1-2-22-8-17(13)23-7-14/h3-7,10-11,22H,1-2,8-9H2,(H,25,27).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 134518256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).