N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide

C26H36N6O2 — CID 91192118

IUPACN-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide
SMILESCC(C)(C)CC(Nc1nc(=O)[nH]c2ccccc12)C(=O)NC1(C#N)CCN(CC2CCCC2)C1
InChIInChI=1S/C26H36N6O2/c1-25(2,3)14-21(28-22-19-10-6-7-11-20(19)29-24(34)30-22)23(33)31-26(16-27)12-13-32(17-26)15-18-8-4-5-9-18/h6-7,10-11,18,21H,4-5,8-9,12-15,17H2,1-3H3,(H,31,33)(H2,28,29,30,34)
InChIKeyUPLKLDPJKGYEOA-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.41
Rot. Bonds7

About N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide

N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide (PubChem CID 91192118) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide.

Molecular Properties

Compound NameN-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide
PubChem CID91192118
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC NameN-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide
SMILESCC(C)(C)CC(Nc1nc(=O)[nH]c2ccccc12)C(=O)NC1(C#N)CCN(CC2CCCC2)C1
InChIInChI=1S/C26H36N6O2/c1-25(2,3)14-21(28-22-19-10-6-7-11-20(19)29-24(34)30-22)23(33)31-26(16-27)12-13-32(17-26)15-18-8-4-5-9-18/h6-7,10-11,18,21H,4-5,8-9,12-15,17H2,1-3H3,(H,31,33)(H2,28,29,30,34)
InChIKeyUPLKLDPJKGYEOA-UHFFFAOYSA-N
XLogP3.41
TPSA113.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide 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-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide?
The IUPAC name of N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide (CID 91192118) is N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide.
What is the SMILES notation for N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide?
The canonical SMILES for N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide is CC(C)(C)CC(Nc1nc(=O)[nH]c2ccccc12)C(=O)NC1(C#N)CCN(CC2CCCC2)C1.
What is the InChIKey of N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide?
The InChIKey is UPLKLDPJKGYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-25(2,3)14-21(28-22-19-10-6-7-11-20(19)29-24(34)30-22)23(33)31-26(16-27)12-13-32(17-26)15-18-8-4-5-9-18/h6-7,10-11,18,21H,4-5,8-9,12-15,17H2,1-3H3,(H,31,33)(H2,28,29,30,34).
What are the key properties of N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide?
N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide has a molecular weight of 464.61 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide is sourced from PubChem (CID 91192118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).