N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide

C20H21N3O — CID 25337304

IUPACN-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCC[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-3-6-14(2)22-20(24)17-13-19(15-9-11-21-12-10-15)23-18-8-5-4-7-16(17)18/h4-5,7-14H,3,6H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyMOZSMHKKKHEKPO-AWEZNQCLSA-N
MW319.41 g/mol
LogP4.22
Rot. Bonds5

About N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 25337304) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID25337304
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCC[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-3-6-14(2)22-20(24)17-13-19(15-9-11-21-12-10-15)23-18-8-5-4-7-16(17)18/h4-5,7-14H,3,6H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyMOZSMHKKKHEKPO-AWEZNQCLSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 124861697
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 91639956
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842
2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749811
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 25337304) is N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is CCC[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is MOZSMHKKKHEKPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-6-14(2)22-20(24)17-13-19(15-9-11-21-12-10-15)23-18-8-5-4-7-16(17)18/h4-5,7-14H,3,6H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 25337304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).