2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide

C21H22F3N5O — CID 156830963

IUPAC2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC(C)C)ncc2nc1N
InChIInChI=1S/C21H22F3N5O/c1-12(2)10-29(11-16-5-4-15(8-26-16)21(22,23)24)20(30)17-7-14-6-13(3)19(25)28-18(14)9-27-17/h4-9,12H,10-11H2,1-3H3,(H2,25,28)
InChIKeyZYLWIPJDFRHBAG-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.23
Rot. Bonds5

About 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide

2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide (PubChem CID 156830963) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide
PubChem CID156830963
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC(C)C)ncc2nc1N
InChIInChI=1S/C21H22F3N5O/c1-12(2)10-29(11-16-5-4-15(8-26-16)21(22,23)24)20(30)17-7-14-6-13(3)19(25)28-18(14)9-27-17/h4-9,12H,10-11H2,1-3H3,(H2,25,28)
InChIKeyZYLWIPJDFRHBAG-UHFFFAOYSA-N
XLogP4.23
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide with MolForge

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Related Compounds

2-amino-N-(2-methylpropyl)-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830654
2-amino-N-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825
2-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830926
2-amino-7-fluoro-3-methyl-N-(pyrimidin-2-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830318
2-amino-N-but-3-yn-2-yl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830381
2-amino-N-but-3-ynyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830876
2-amino-3-methyl-N-[(3R)-3-pyrazol-1-ylbutyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710055
2-amino-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710064
2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
CID 156830444
4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
CID 163383417
2-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830258
2-amino-3-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830599

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide (CID 156830963) is 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC(C)C)ncc2nc1N.
What is the InChIKey of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide?
The InChIKey is ZYLWIPJDFRHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c1-12(2)10-29(11-16-5-4-15(8-26-16)21(22,23)24)20(30)17-7-14-6-13(3)19(25)28-18(14)9-27-17/h4-9,12H,10-11H2,1-3H3,(H2,25,28).
What are the key properties of 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide?
2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 156830963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).