N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C21H27N5O2 — CID 163372716

IUPACN-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)CC(C(=O)N1CC(C)CC1C#N)N(C)C(=O)c1cc2cccnc2[nH]1
InChIInChI=1S/C21H27N5O2/c1-13(2)8-18(21(28)26-12-14(3)9-16(26)11-22)25(4)20(27)17-10-15-6-5-7-23-19(15)24-17/h5-7,10,13-14,16,18H,8-9,12H2,1-4H3,(H,23,24)
InChIKeyVQQSBZFGYMJDBS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.81
Rot. Bonds5

About N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 163372716) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID163372716
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)CC(C(=O)N1CC(C)CC1C#N)N(C)C(=O)c1cc2cccnc2[nH]1
InChIInChI=1S/C21H27N5O2/c1-13(2)8-18(21(28)26-12-14(3)9-16(26)11-22)25(4)20(27)17-10-15-6-5-7-23-19(15)24-17/h5-7,10,13-14,16,18H,8-9,12H2,1-4H3,(H,23,24)
InChIKeyVQQSBZFGYMJDBS-UHFFFAOYSA-N
XLogP2.81
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 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) is N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CC(C)CC(C(=O)N1CC(C)CC1C#N)N(C)C(=O)c1cc2cccnc2[nH]1.
What is the InChIKey of N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is VQQSBZFGYMJDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)8-18(21(28)26-12-14(3)9-16(26)11-22)25(4)20(27)17-10-15-6-5-7-23-19(15)24-17/h5-7,10,13-14,16,18H,8-9,12H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 163372716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).