N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide

C26H25N3O2S — CID 53308061

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-c3ccsc3)nc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O2S/c30-25-8-4-3-7-23(25)29-26(31)24-14-19(20-5-1-2-6-22(20)28-24)13-17-9-10-21(27-15-17)18-11-12-32-16-18/h1-2,5-6,9-12,14-16,23,25,30H,3-4,7-8,13H2,(H,29,31)/t23-,25-/m0/s1
InChIKeyFEYCXCCTCVGTSM-ZCYQVOJMSA-N
MW443.57 g/mol
LogP4.98
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide (PubChem CID 53308061) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide
PubChem CID53308061
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-c3ccsc3)nc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O2S/c30-25-8-4-3-7-23(25)29-26(31)24-14-19(20-5-1-2-6-22(20)28-24)13-17-9-10-21(27-15-17)18-11-12-32-16-18/h1-2,5-6,9-12,14-16,23,25,30H,3-4,7-8,13H2,(H,29,31)/t23-,25-/m0/s1
InChIKeyFEYCXCCTCVGTSM-ZCYQVOJMSA-N
XLogP4.98
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
N-[(1S,2R)-2-hydroxycyclohexyl]-4-[[6-(1-methyl-3H-pyrazol-1-ium-4-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 140706788
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane
CID 160889180
7-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrrolo[3,2-b]pyridine-5-carboxamide
CID 134312620
5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
CID 129017531
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134312498
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 150560056
1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 122668773
4-[(6-chloro-3-pyridinyl)methyl]-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441262
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]quinoline-2-carboxamide
CID 53307086
4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 71042497
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 161242138

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide (CID 53308061) is N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-c3ccsc3)nc2)c2ccccc2n1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide?
The InChIKey is FEYCXCCTCVGTSM-ZCYQVOJMSA-N. The full InChI is InChI=1S/C26H25N3O2S/c30-25-8-4-3-7-23(25)29-26(31)24-14-19(20-5-1-2-6-22(20)28-24)13-17-9-10-21(27-15-17)18-11-12-32-16-18/h1-2,5-6,9-12,14-16,23,25,30H,3-4,7-8,13H2,(H,29,31)/t23-,25-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 53308061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).