N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide

C21H23N3O2 — CID 124861697

IUPACN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-3-14(2)20(13-25)24-21(26)17-12-19(15-8-10-22-11-9-15)23-18-7-5-4-6-16(17)18/h4-12,14,20,25H,3,13H2,1-2H3,(H,24,26)/t14-,20+/m0/s1
InChIKeyJAZWSKDHASGSIV-VBKZILBWSA-N
MW349.43 g/mol
LogP3.43
Rot. Bonds6

About N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 124861697) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID124861697
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-3-14(2)20(13-25)24-21(26)17-12-19(15-8-10-22-11-9-15)23-18-7-5-4-6-16(17)18/h4-12,14,20,25H,3,13H2,1-2H3,(H,24,26)/t14-,20+/m0/s1
InChIKeyJAZWSKDHASGSIV-VBKZILBWSA-N
XLogP3.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 91639956
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17374077
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166220183

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 124861697) is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JAZWSKDHASGSIV-VBKZILBWSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-14(2)20(13-25)24-21(26)17-12-19(15-8-10-22-11-9-15)23-18-7-5-4-6-16(17)18/h4-12,14,20,25H,3,13H2,1-2H3,(H,24,26)/t14-,20+/m0/s1.
What are the key properties of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 124861697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).