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

C19H24N4O — CID 134800726

IUPACN-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)22-19(24)18-4-3-9-23(18)12-15-5-7-16(8-6-15)17-10-20-13-21-11-17/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3,(H,22,24)
InChIKeyTXJMKLLZKJEQAS-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds5

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

N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 134800726) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID134800726
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)22-19(24)18-4-3-9-23(18)12-15-5-7-16(8-6-15)17-10-20-13-21-11-17/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3,(H,22,24)
InChIKeyTXJMKLLZKJEQAS-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 134800726) is N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is TXJMKLLZKJEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)22-19(24)18-4-3-9-23(18)12-15-5-7-16(8-6-15)17-10-20-13-21-11-17/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3,(H,22,24).
What are the key properties of N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134800726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).