N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide

C18H22F3N5O — CID 166305856

IUPACN-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide
SMILESCC(CNC(=O)Cc1ccc2c(n1)NCCC2)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5O/c1-12(10-26-11-14(9-24-26)18(19,20)21)8-23-16(27)7-15-5-4-13-3-2-6-22-17(13)25-15/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,22,25)(H,23,27)
InChIKeyQMEHZKCBXCAOJV-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.65
Rot. Bonds6

About N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide

N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide (PubChem CID 166305856) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide
PubChem CID166305856
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC NameN-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide
SMILESCC(CNC(=O)Cc1ccc2c(n1)NCCC2)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5O/c1-12(10-26-11-14(9-24-26)18(19,20)21)8-23-16(27)7-15-5-4-13-3-2-6-22-17(13)25-15/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,22,25)(H,23,27)
InChIKeyQMEHZKCBXCAOJV-UHFFFAOYSA-N
XLogP2.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonylamino]-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414404
1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46207749
2-(2-methoxyethylsulfonylamino)-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414474
2-(2,2-dimethylpropoxycarbonylamino)-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414303
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
N-[3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxamide
CID 139422197
3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid
CID 155416221
(2R)-3-[[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 139422195
(2S)-2-(2-naphthalen-1-ylethylsulfonylamino)-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414230
3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine
CID 175526978
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60559475

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide?
The IUPAC name of N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide (CID 166305856) is N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide?
The canonical SMILES for N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide is CC(CNC(=O)Cc1ccc2c(n1)NCCC2)Cn1cc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide?
The InChIKey is QMEHZKCBXCAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-12(10-26-11-14(9-24-26)18(19,20)21)8-23-16(27)7-15-5-4-13-3-2-6-22-17(13)25-15/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide?
N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide has a molecular weight of 381.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetamide is sourced from PubChem (CID 166305856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).