6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide

C26H28FN5O2 — CID 73099379

IUPAC6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2Cc1cccnc1)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C26H28FN5O2/c27-23-6-5-20-14-22(4-3-21(20)15-23)24(33)29-10-13-31-11-7-26(8-12-31)25(34)30-18-32(26)17-19-2-1-9-28-16-19/h1-6,9,14-16H,7-8,10-13,17-18H2,(H,29,33)(H,30,34)
InChIKeyCWCOMOINVWMWRW-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.53
Rot. Bonds6

About 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide

6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 73099379) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
PubChem CID73099379
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2Cc1cccnc1)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C26H28FN5O2/c27-23-6-5-20-14-22(4-3-21(20)15-23)24(33)29-10-13-31-11-7-26(8-12-31)25(34)30-18-32(26)17-19-2-1-9-28-16-19/h1-6,9,14-16H,7-8,10-13,17-18H2,(H,29,33)(H,30,34)
InChIKeyCWCOMOINVWMWRW-UHFFFAOYSA-N
XLogP2.53
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-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

Related Compounds

3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 73099451
N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-4-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 73099394
3-amino-4,5,6-trimethyl-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 73099478
N-[2-[1-(5-bromo-3-pyridinyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73099472
N-[2-[1-(2-fluoro-4-pyridinyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73099340
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 46939578
N-[2-[4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 50902618
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 46939675
3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428878
N-[2-[1-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
CID 46939323
2-amino-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;hydrate;hydrochloride
CID 21428955

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide (CID 73099379) is 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2Cc1cccnc1)c1ccc2cc(F)ccc2c1.
What is the InChIKey of 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is CWCOMOINVWMWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-23-6-5-20-14-22(4-3-21(20)15-23)24(33)29-10-13-31-11-7-26(8-12-31)25(34)30-18-32(26)17-19-2-1-9-28-16-19/h1-6,9,14-16H,7-8,10-13,17-18H2,(H,29,33)(H,30,34).
What are the key properties of 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide?
6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 73099379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).