N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide

C19H20N4O2 — CID 166487922

IUPACN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide
SMILESCC1CC(C#N)N(C(=O)CN(C)C(=O)c2ccc3cnccc3c2)C1
InChIInChI=1S/C19H20N4O2/c1-13-7-17(9-20)23(11-13)18(24)12-22(2)19(25)15-3-4-16-10-21-6-5-14(16)8-15/h3-6,8,10,13,17H,7,11-12H2,1-2H3
InChIKeyMRPCXLOYRRZMPN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.07
Rot. Bonds3

About N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide

N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide (PubChem CID 166487922) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide
PubChem CID166487922
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide
SMILESCC1CC(C#N)N(C(=O)CN(C)C(=O)c2ccc3cnccc3c2)C1
InChIInChI=1S/C19H20N4O2/c1-13-7-17(9-20)23(11-13)18(24)12-22(2)19(25)15-3-4-16-10-21-6-5-14(16)8-15/h3-6,8,10,13,17H,7,11-12H2,1-2H3
InChIKeyMRPCXLOYRRZMPN-UHFFFAOYSA-N
XLogP2.07
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide
CID 167075820
6-bromo-N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-3-carboxamide
CID 167076013
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide
CID 167075779
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N,1-dimethylindazole-6-carboxamide
CID 163372830
4-chloro-N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-2,3-difluoro-N-methylbenzamide
CID 167075509
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methyl-1-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 167075325
5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075757
(5S)-1-[2-[(4-chlorobenzoyl)-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 167075561
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide
CID 163373203
N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 163372716
N-ethylisoquinoline-6-carboxamide
CID 110485080
N-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]naphthalene-2-carboxamide
CID 162670116

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide?
The IUPAC name of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide (CID 166487922) is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide is CC1CC(C#N)N(C(=O)CN(C)C(=O)c2ccc3cnccc3c2)C1.
What is the InChIKey of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide?
The InChIKey is MRPCXLOYRRZMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-7-17(9-20)23(11-13)18(24)12-22(2)19(25)15-3-4-16-10-21-6-5-14(16)8-15/h3-6,8,10,13,17H,7,11-12H2,1-2H3.
What are the key properties of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide?
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide is sourced from PubChem (CID 166487922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).