N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide

C26H30FN3O3 — CID 146482222

IUPACN-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide
SMILESCCOC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H30FN3O3/c1-3-33-16-24(30-26(31)19-8-11-25(32-2)29-15-19)18-6-4-17(5-7-18)21-12-13-28-23-10-9-20(27)14-22(21)23/h8-15,17-18,24H,3-7,16H2,1-2H3,(H,30,31)/t17?,18?,24-/m1/s1
InChIKeyHXQWNGQUKNADLN-YOHDVBOVSA-N
MW451.54 g/mol
LogP4.89
Rot. Bonds8

About N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide

N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 146482222) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide
PubChem CID146482222
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC NameN-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide
SMILESCCOC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H30FN3O3/c1-3-33-16-24(30-26(31)19-8-11-25(32-2)29-15-19)18-6-4-17(5-7-18)21-12-13-28-23-10-9-20(27)14-22(21)23/h8-15,17-18,24H,3-7,16H2,1-2H3,(H,30,31)/t17?,18?,24-/m1/s1
InChIKeyHXQWNGQUKNADLN-YOHDVBOVSA-N
XLogP4.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide (CID 146482222) is N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide is CCOC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is HXQWNGQUKNADLN-YOHDVBOVSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-3-33-16-24(30-26(31)19-8-11-25(32-2)29-15-19)18-6-4-17(5-7-18)21-12-13-28-23-10-9-20(27)14-22(21)23/h8-15,17-18,24H,3-7,16H2,1-2H3,(H,30,31)/t17?,18?,24-/m1/s1.
What are the key properties of N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide?
N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 146482222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).