8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid

C18H20F3N5O3 — CID 69105726

IUPAC8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(N)CC3)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N5O.C2HF3O2/c17-11-14-3-1-12-2-4-15(22)21(16(12)19-14)10-9-20-7-5-13(18)6-8-20;3-2(4,5)1(6)7/h1-4,13H,5-10,18H2;(H,6,7)
InChIKeyARGRMFMSMMJJNW-UHFFFAOYSA-N
MW411.38 g/mol
LogP1.32
Rot. Bonds3

About 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid

8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 69105726) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID69105726
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(N)CC3)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N5O.C2HF3O2/c17-11-14-3-1-12-2-4-15(22)21(16(12)19-14)10-9-20-7-5-13(18)6-8-20;3-2(4,5)1(6)7/h1-4,13H,5-10,18H2;(H,6,7)
InChIKeyARGRMFMSMMJJNW-UHFFFAOYSA-N
XLogP1.32
TPSA125.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(2-hydroxypyridin-4-yl)-4-(methyl-amino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608766
4-(3-cyano-6-(trifluoromethyl)pyridin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 54582209
1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743543
N-cyclopropyl-1-(cyclopropylmethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743546
N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118744148
(E)-3-pyridin-2-yl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 23160683
Tert-butyl ((7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl)(1-(trifluoroacetyl)piperidin-4-yl)carbamate
CID 57815315
7-(((1-(trifluoroacetyl)piperidin-4-yl)amino)methyl)-1,8-naphthyridin-2(1H)-one
CID 57815446
N-[1-[3-cyano-6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-N-phenylpropanamide
CID 58873385
Tert-butyl 4-[[[3-cyano-6-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58873657
(2-Amino-2-oxoethyl)-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67136654
7-[4-(4-Methylpiperazin-1-yl)anilino]-1-[[6-(2,2,2-trifluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,8-naphthyridin-2-one
CID 68116228

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid (CID 69105726) is 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1ccc2ccc(=O)n(CCN3CCC(N)CC3)c2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is ARGRMFMSMMJJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O.C2HF3O2/c17-11-14-3-1-12-2-4-15(22)21(16(12)19-14)10-9-20-7-5-13(18)6-8-20;3-2(4,5)1(6)7/h1-4,13H,5-10,18H2;(H,6,7).
What are the key properties of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 411.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-oxo-1,8-naphthyridine-2-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69105726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).