N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

C26H23F3N6O2 — CID 16735933

IUPACN-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cc(C(F)(F)F)nn2)c2ccccc12
InChIInChI=1S/C26H23F3N6O2/c27-26(28,29)22-15-35(34-33-22)14-17-10-11-20(19-8-2-1-7-18(17)19)24(36)32-21-9-4-12-30-23(21)25(37)31-13-16-5-3-6-16/h1-2,4,7-12,15-16H,3,5-6,13-14H2,(H,31,37)(H,32,36)
InChIKeyYWHZCLQAIDIRDA-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.68
Rot. Bonds7

About N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 16735933) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID16735933
Molecular FormulaC26H23F3N6O2
Molecular Weight508.50 g/mol
Exact Mass508.18
IUPAC NameN-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cc(C(F)(F)F)nn2)c2ccccc12
InChIInChI=1S/C26H23F3N6O2/c27-26(28,29)22-15-35(34-33-22)14-17-10-11-20(19-8-2-1-7-18(17)19)24(36)32-21-9-4-12-30-23(21)25(37)31-13-16-5-3-6-16/h1-2,4,7-12,15-16H,3,5-6,13-14H2,(H,31,37)(H,32,36)
InChIKeyYWHZCLQAIDIRDA-UHFFFAOYSA-N
XLogP4.68
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 16735933) is N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cc(C(F)(F)F)nn2)c2ccccc12.
What is the InChIKey of N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is YWHZCLQAIDIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2/c27-26(28,29)22-15-35(34-33-22)14-17-10-11-20(19-8-2-1-7-18(17)19)24(36)32-21-9-4-12-30-23(21)25(37)31-13-16-5-3-6-16/h1-2,4,7-12,15-16H,3,5-6,13-14H2,(H,31,37)(H,32,36).
What are the key properties of N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 508.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 16735933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).