N-(2-cyanopropan-2-yl)quinoline-4-carboxamide

C14H13N3O — CID 113224905

IUPACN-(2-cyanopropan-2-yl)quinoline-4-carboxamide
SMILESCC(C)(C#N)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H13N3O/c1-14(2,9-15)17-13(18)11-7-8-16-12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,17,18)
InChIKeyPYLQMWANAVFOPR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.27
Rot. Bonds2

About N-(2-cyanopropan-2-yl)quinoline-4-carboxamide

N-(2-cyanopropan-2-yl)quinoline-4-carboxamide (PubChem CID 113224905) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)quinoline-4-carboxamide
PubChem CID113224905
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(2-cyanopropan-2-yl)quinoline-4-carboxamide
SMILESCC(C)(C#N)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H13N3O/c1-14(2,9-15)17-13(18)11-7-8-16-12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,17,18)
InChIKeyPYLQMWANAVFOPR-UHFFFAOYSA-N
XLogP2.27
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478
N-[3-(bromomethyl)pentan-3-yl]quinoline-4-carboxamide
CID 114315222
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
quinoline-4-carbonyl cyanide
CID 119091066
2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
CID 103755271
2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid
CID 590819
N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
CID 60966818
2-quinolin-4-ylprop-2-enenitrile
CID 143863214
N-(1-cyanocyclopentyl)quinoline-4-carboxamide
CID 112722770
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)quinoline-4-carboxamide (CID 113224905) is N-(2-cyanopropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)quinoline-4-carboxamide is CC(C)(C#N)NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(2-cyanopropan-2-yl)quinoline-4-carboxamide?
The InChIKey is PYLQMWANAVFOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-14(2,9-15)17-13(18)11-7-8-16-12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanopropan-2-yl)quinoline-4-carboxamide?
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 113224905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).