N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide

C29H28F3N5O2 — CID 24735198

IUPACN-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(CNc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1
InChIInChI=1S/C29H28F3N5O2/c1-39-22-9-5-8-21(16-22)35-28(38)37-14-12-19(13-15-37)17-33-27-23-10-11-25(29(30,31)32)36-26(23)24(18-34-27)20-6-3-2-4-7-20/h2-11,16,18-19H,12-15,17H2,1H3,(H,33,34)(H,35,38)
InChIKeyFZUACQVVMZVLCD-UHFFFAOYSA-N
MW535.57 g/mol
LogP6.68
Rot. Bonds6

About N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide

N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide (PubChem CID 24735198) has the molecular formula C29H28F3N5O2 and a molecular weight of 535.57 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide
PubChem CID24735198
Molecular FormulaC29H28F3N5O2
Molecular Weight535.57 g/mol
Exact Mass535.22
IUPAC NameN-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(CNc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1
InChIInChI=1S/C29H28F3N5O2/c1-39-22-9-5-8-21(16-22)35-28(38)37-14-12-19(13-15-37)17-33-27-23-10-11-25(29(30,31)32)36-26(23)24(18-34-27)20-6-3-2-4-7-20/h2-11,16,18-19H,12-15,17H2,1H3,(H,33,34)(H,35,38)
InChIKeyFZUACQVVMZVLCD-UHFFFAOYSA-N
XLogP6.68
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.57
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-Naphthyridine 20
CID 5330130
1,6-Naphthyridine 23
CID 5330133
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
6-[(3-Methoxy-5-trifluoromethylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457342
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
1,6-Naphthyridine 17
CID 5330127
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
6-Arylpyrido[2,3-d]pyrimidine deriv. 68
CID 5328170
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide (CID 24735198) is N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(CNc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide?
The InChIKey is FZUACQVVMZVLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N5O2/c1-39-22-9-5-8-21(16-22)35-28(38)37-14-12-19(13-15-37)17-33-27-23-10-11-25(29(30,31)32)36-26(23)24(18-34-27)20-6-3-2-4-7-20/h2-11,16,18-19H,12-15,17H2,1H3,(H,33,34)(H,35,38).
What are the key properties of N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide?
N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide has a molecular weight of 535.57 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 24735198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).