N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide

C16H21N3O — CID 63754723

IUPACN-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-11(2)9-13(10-17)18-16(20)15-8-7-12-5-3-4-6-14(12)19-15/h3-8,11,13H,9-10,17H2,1-2H3,(H,18,20)
InChIKeySSGZTUXZHPRDCI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.34
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide

N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide (PubChem CID 63754723) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
PubChem CID63754723
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-11(2)9-13(10-17)18-16(20)15-8-7-12-5-3-4-6-14(12)19-15/h3-8,11,13H,9-10,17H2,1-2H3,(H,18,20)
InChIKeySSGZTUXZHPRDCI-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 88968167
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
CID 119586830
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-(1-amino-4-methylpentan-2-yl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119587084
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide (CID 63754723) is N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide is CC(C)CC(CN)NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide?
The InChIKey is SSGZTUXZHPRDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)9-13(10-17)18-16(20)15-8-7-12-5-3-4-6-14(12)19-15/h3-8,11,13H,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide?
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 63754723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).