1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C18H20BrF3N4O — CID 133483608

IUPAC1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(c2ccnc3cc(Br)cnc23)C1
InChIInChI=1S/C18H20BrF3N4O/c1-2-25(11-18(20,21)22)17(27)12-4-3-7-26(10-12)15-5-6-23-14-8-13(19)9-24-16(14)15/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyVZODZTZBCWVPRQ-UHFFFAOYSA-N
MW445.28 g/mol
LogP4.02
Rot. Bonds4

About 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133483608) has the molecular formula C18H20BrF3N4O and a molecular weight of 445.28 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133483608
Molecular FormulaC18H20BrF3N4O
Molecular Weight445.28 g/mol
Exact Mass444.08
IUPAC Name1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(c2ccnc3cc(Br)cnc23)C1
InChIInChI=1S/C18H20BrF3N4O/c1-2-25(11-18(20,21)22)17(27)12-4-3-7-26(10-12)15-5-6-23-14-8-13(19)9-24-16(14)15/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyVZODZTZBCWVPRQ-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide
CID 75509889
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481700
N-ethyl-1-(6-methoxypyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71922412
1-(7-bromo-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-ol
CID 114680866
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine
CID 113394506
1-(2-chlorofuran-3-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136536554
(3S)-N-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124516725
1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 133482933
(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 99705046
4-(7-bromo-1,5-naphthyridin-4-yl)-1,4-thiazepane
CID 113394491

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133483608) is 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(c2ccnc3cc(Br)cnc23)C1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is VZODZTZBCWVPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF3N4O/c1-2-25(11-18(20,21)22)17(27)12-4-3-7-26(10-12)15-5-6-23-14-8-13(19)9-24-16(14)15/h5-6,8-9,12H,2-4,7,10-11H2,1H3.
What are the key properties of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 445.28 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133483608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).