N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H19F3N4O — CID 53233782

IUPACN-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cncc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1
InChIInChI=1S/C22H19F3N4O/c1-14-10-18(13-26-12-14)27-21(30)29-9-3-5-15-7-8-19(28-20(15)29)16-4-2-6-17(11-16)22(23,24)25/h2,4,6-8,10-13H,3,5,9H2,1H3,(H,27,30)
InChIKeyGPHWOWBOQSKCPK-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.46
Rot. Bonds2

About N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 53233782) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID53233782
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC NameN-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cncc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1
InChIInChI=1S/C22H19F3N4O/c1-14-10-18(13-26-12-14)27-21(30)29-9-3-5-15-7-8-19(28-20(15)29)16-4-2-6-17(11-16)22(23,24)25/h2,4,6-8,10-13H,3,5,9H2,1H3,(H,27,30)
InChIKeyGPHWOWBOQSKCPK-UHFFFAOYSA-N
XLogP5.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj-17203212
CID 11339118
Las-101057
CID 16071896
Gnf6231
CID 46927297
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
1-Ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea
CID 67450369
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
4-Methyl-6-(2-(5-(4-Methylpiperazin-1-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057273
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[3,2-d]pyrimidin-4-yl]amine
CID 10151288

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 53233782) is N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Cc1cncc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is GPHWOWBOQSKCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-14-10-18(13-26-12-14)27-21(30)29-9-3-5-15-7-8-19(28-20(15)29)16-4-2-6-17(11-16)22(23,24)25/h2,4,6-8,10-13H,3,5,9H2,1H3,(H,27,30).
What are the key properties of N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 53233782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).