N-(2-methylpropyl)isoquinoline-3-carboxamide

C14H16N2O — CID 110848375

IUPACN-(2-methylpropyl)isoquinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccccc2cn1
InChIInChI=1S/C14H16N2O/c1-10(2)8-16-14(17)13-7-11-5-3-4-6-12(11)9-15-13/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyMEALNGFDSURNMB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.62
Rot. Bonds3

About N-(2-methylpropyl)isoquinoline-3-carboxamide

N-(2-methylpropyl)isoquinoline-3-carboxamide (PubChem CID 110848375) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(2-methylpropyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)isoquinoline-3-carboxamide
PubChem CID110848375
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(2-methylpropyl)isoquinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccccc2cn1
InChIInChI=1S/C14H16N2O/c1-10(2)8-16-14(17)13-7-11-5-3-4-6-12(11)9-15-13/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyMEALNGFDSURNMB-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-ethyl-N-propan-2-ylisoquinoline-3-carboxamide
CID 67428149
N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide
CID 45121525
N-(2-methylpropyl)-1-(propylamino)isoquinoline-3-carboxamide
CID 62172724
N-[[4-(hydroxycarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide
CID 10308600
1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 141187748
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
isoquinoline-3-carboxylic acid;rhenium
CID 59015469
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)isoquinoline-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)isoquinoline-3-carboxamide (CID 110848375) is N-(2-methylpropyl)isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)isoquinoline-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)isoquinoline-3-carboxamide is CC(C)CNC(=O)c1cc2ccccc2cn1.
What is the InChIKey of N-(2-methylpropyl)isoquinoline-3-carboxamide?
The InChIKey is MEALNGFDSURNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)8-16-14(17)13-7-11-5-3-4-6-12(11)9-15-13/h3-7,9-10H,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropyl)isoquinoline-3-carboxamide?
N-(2-methylpropyl)isoquinoline-3-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 110848375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).