5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C19H23ClN4O2 — CID 55736170

IUPAC5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1
InChIInChI=1S/C19H23ClN4O2/c1-14-5-7-15(8-6-14)26-12-11-23(2)18(25)17-16(20)13-21-19(22-17)24-9-3-4-10-24/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyUTBMPUWUZHLACX-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.19
Rot. Bonds6

About 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55736170) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55736170
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1
InChIInChI=1S/C19H23ClN4O2/c1-14-5-7-15(8-6-14)26-12-11-23(2)18(25)17-16(20)13-21-19(22-17)24-9-3-4-10-24/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyUTBMPUWUZHLACX-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55770857
5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87037741
5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047386
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347582
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
CID 18126231
N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18119321
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55833945
5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
CID 166292584
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 31641686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55736170) is 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1ccc(OCCN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is UTBMPUWUZHLACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14-5-7-15(8-6-14)26-12-11-23(2)18(25)17-16(20)13-21-19(22-17)24-9-3-4-10-24/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55736170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).