N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C18H22N4O — CID 20959516

IUPACN-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)cc1
InChIInChI=1S/C18H22N4O/c1-3-14-6-8-15(9-7-14)21-17(23)16-12-19-18(20-13(16)2)22-10-4-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyBLHLOIZMLZPSDE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds4

About N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20959516) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20959516
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)cc1
InChIInChI=1S/C18H22N4O/c1-3-14-6-8-15(9-7-14)21-17(23)16-12-19-18(20-13(16)2)22-10-4-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyBLHLOIZMLZPSDE-UHFFFAOYSA-N
XLogP3.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20959516) is N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is BLHLOIZMLZPSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-14-6-8-15(9-7-14)21-17(23)16-12-19-18(20-13(16)2)22-10-4-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).