2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide

C24H26ClN5O3 — CID 108786319

IUPAC2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1
InChIInChI=1S/C24H26ClN5O3/c1-3-30(4-2)14-13-26-22(31)17-7-11-19(12-8-17)28-23(32)20-15-27-21(29-24(20)33)16-5-9-18(25)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,26,31)(H,28,32)(H,27,29,33)
InChIKeyCVPUZVYLOUIBBH-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.41
Rot. Bonds9

About 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108786319) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108786319
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1
InChIInChI=1S/C24H26ClN5O3/c1-3-30(4-2)14-13-26-22(31)17-7-11-19(12-8-17)28-23(32)20-15-27-21(29-24(20)33)16-5-9-18(25)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,26,31)(H,28,32)(H,27,29,33)
InChIKeyCVPUZVYLOUIBBH-UHFFFAOYSA-N
XLogP3.41
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786174
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-(1H-imidazol-2-yl)benzamide
CID 14664370
2-(4-chlorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrimidine-5-carboxamide
CID 108799351
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
4-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108799385
2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809663
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-methylbutanoic acid
CID 108799274

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 108786319) is 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CVPUZVYLOUIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-3-30(4-2)14-13-26-22(31)17-7-11-19(12-8-17)28-23(32)20-15-27-21(29-24(20)33)16-5-9-18(25)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,26,31)(H,28,32)(H,27,29,33).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).