N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide

C25H24ClN3O — CID 1261284

IUPACN-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H24ClN3O/c26-19-3-4-22-20(11-19)21(12-23(28-22)16-2-1-5-27-13-16)25(30)29-24-17-7-14-6-15(9-17)10-18(24)8-14/h1-5,11-15,17-18,24H,6-10H2,(H,29,30)
InChIKeyTWCQELOXIJRJIH-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.50
Rot. Bonds3

About N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide

N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261284) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1261284
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H24ClN3O/c26-19-3-4-22-20(11-19)21(12-23(28-22)16-2-1-5-27-13-16)25(30)29-24-17-7-14-6-15(9-17)10-18(24)8-14/h1-5,11-15,17-18,24H,6-10H2,(H,29,30)
InChIKeyTWCQELOXIJRJIH-UHFFFAOYSA-N
XLogP5.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220478
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261484
6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965443
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride
CID 2965387
N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078583
N-(2-adamantyl)-4-chloropyridine-3-carboxamide
CID 81230801
N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 166268674

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide (CID 1261284) is N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is TWCQELOXIJRJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c26-19-3-4-22-20(11-19)21(12-23(28-22)16-2-1-5-27-13-16)25(30)29-24-17-7-14-6-15(9-17)10-18(24)8-14/h1-5,11-15,17-18,24H,6-10H2,(H,29,30).
What are the key properties of N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide?
N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).