5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide

C25H31FN6O2 — CID 174199621

IUPAC5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide
SMILESCCC1=Cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC(F)C5)nc4)CC3)cc2NC1O
InChIInChI=1S/C25H31FN6O2/c1-2-17-10-22-23(30-24(17)33)9-16(13-27-22)15-31-5-7-32(8-6-31)20-3-4-21(28-14-20)25(34)29-19-11-18(26)12-19/h3-4,9-10,13-14,18-19,24,30,33H,2,5-8,11-12,15H2,1H3,(H,29,34)
InChIKeyOPSSGPDQXPYJJR-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.57
Rot. Bonds6

About 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide

5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide (PubChem CID 174199621) has the molecular formula C25H31FN6O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide
PubChem CID174199621
Molecular FormulaC25H31FN6O2
Molecular Weight466.56 g/mol
Exact Mass466.25
IUPAC Name5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide
SMILESCCC1=Cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC(F)C5)nc4)CC3)cc2NC1O
InChIInChI=1S/C25H31FN6O2/c1-2-17-10-22-23(30-24(17)33)9-16(13-27-22)15-31-5-7-32(8-6-31)20-3-4-21(28-14-20)25(34)29-19-11-18(26)12-19/h3-4,9-10,13-14,18-19,24,30,33H,2,5-8,11-12,15H2,1H3,(H,29,34)
InChIKeyOPSSGPDQXPYJJR-UHFFFAOYSA-N
XLogP2.57
TPSA93.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 174200357
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
N-cyclopropyl-5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166021917
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
methyl 5-[4-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate
CID 160840794
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
5-(4-benzylpiperazin-1-yl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710221
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186783
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide
CID 169110661
N-methyl-5-[4-[[(2S)-3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189750

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide (CID 174199621) is 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide is CCC1=Cc2ncc(CN3CCN(c4ccc(C(=O)NC5CC(F)C5)nc4)CC3)cc2NC1O.
What is the InChIKey of 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide?
The InChIKey is OPSSGPDQXPYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2/c1-2-17-10-22-23(30-24(17)33)9-16(13-27-22)15-31-5-7-32(8-6-31)20-3-4-21(28-14-20)25(34)29-19-11-18(26)12-19/h3-4,9-10,13-14,18-19,24,30,33H,2,5-8,11-12,15H2,1H3,(H,29,34).
What are the key properties of 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide?
5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-ethyl-6-hydroxy-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(3-fluorocyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 174199621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).