N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H22N4O — CID 109362787

IUPACN-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C18H22N4O/c1-3-14-8-4-5-9-15(14)21-18(23)16-12-17(20-13(2)19-16)22-10-6-7-11-22/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyBBYQNRCXZRABEY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds4

About N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109362787) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109362787
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C18H22N4O/c1-3-14-8-4-5-9-15(14)21-18(23)16-12-17(20-13(2)19-16)22-10-6-7-11-22/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyBBYQNRCXZRABEY-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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Related Compounds

6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109367760
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
6-(azepan-1-yl)-N-(2-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847694
N-(2-ethylphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573709
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109362787) is N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(N2CCCC2)nc(C)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is BBYQNRCXZRABEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-14-8-4-5-9-15(14)21-18(23)16-12-17(20-13(2)19-16)22-10-6-7-11-22/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-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-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).