N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide

C20H26N4O — CID 134797577

IUPACN-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C20H26N4O/c1-3-15(2)23-20(25)19-5-4-10-24(19)13-16-6-8-17(9-7-16)18-11-21-14-22-12-18/h6-9,11-12,14-15,19H,3-5,10,13H2,1-2H3,(H,23,25)
InChIKeyKGHBEIOTCODKMF-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.02
Rot. Bonds6

About N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide

N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 134797577) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID134797577
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C20H26N4O/c1-3-15(2)23-20(25)19-5-4-10-24(19)13-16-6-8-17(9-7-16)18-11-21-14-22-12-18/h6-9,11-12,14-15,19H,3-5,10,13H2,1-2H3,(H,23,25)
InChIKeyKGHBEIOTCODKMF-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-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-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 134797577) is N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide is CCC(C)NC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KGHBEIOTCODKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-15(2)23-20(25)19-5-4-10-24(19)13-16-6-8-17(9-7-16)18-11-21-14-22-12-18/h6-9,11-12,14-15,19H,3-5,10,13H2,1-2H3,(H,23,25).
What are the key properties of N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134797577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).