N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide

C28H34FN5O2 — CID 126738955

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide
SMILESCO[C@H]1CCCN(c2cnc3c(C(=O)Nc4cnccc4[C@@H]4C[C@H](C)C[C@H](N)C4)ccc(F)c3c2)C1
InChIInChI=1S/C28H34FN5O2/c1-17-10-18(12-19(30)11-17)22-7-8-31-15-26(22)33-28(35)23-5-6-25(29)24-13-20(14-32-27(23)24)34-9-3-4-21(16-34)36-2/h5-8,13-15,17-19,21H,3-4,9-12,16,30H2,1-2H3,(H,33,35)/t17-,18+,19-,21-/m0/s1
InChIKeyWQJXAAAOEUZZLX-JTJHWIPRSA-N
MW491.61 g/mol
LogP4.87
Rot. Bonds5

About N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide (PubChem CID 126738955) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide
PubChem CID126738955
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide
SMILESCO[C@H]1CCCN(c2cnc3c(C(=O)Nc4cnccc4[C@@H]4C[C@H](C)C[C@H](N)C4)ccc(F)c3c2)C1
InChIInChI=1S/C28H34FN5O2/c1-17-10-18(12-19(30)11-17)22-7-8-31-15-26(22)33-28(35)23-5-6-25(29)24-13-20(14-32-27(23)24)34-9-3-4-21(16-34)36-2/h5-8,13-15,17-19,21H,3-4,9-12,16,30H2,1-2H3,(H,33,35)/t17-,18+,19-,21-/m0/s1
InChIKeyWQJXAAAOEUZZLX-JTJHWIPRSA-N
XLogP4.87
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide (CID 126738955) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide is CO[C@H]1CCCN(c2cnc3c(C(=O)Nc4cnccc4[C@@H]4C[C@H](C)C[C@H](N)C4)ccc(F)c3c2)C1.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide?
The InChIKey is WQJXAAAOEUZZLX-JTJHWIPRSA-N. The full InChI is InChI=1S/C28H34FN5O2/c1-17-10-18(12-19(30)11-17)22-7-8-31-15-26(22)33-28(35)23-5-6-25(29)24-13-20(14-32-27(23)24)34-9-3-4-21(16-34)36-2/h5-8,13-15,17-19,21H,3-4,9-12,16,30H2,1-2H3,(H,33,35)/t17-,18+,19-,21-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide?
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypiperidin-1-yl]quinoline-8-carboxamide is sourced from PubChem (CID 126738955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).