N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide

C23H24N4O2 — CID 109311664

IUPACN-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(15-18-7-5-4-6-8-18)23-24-14-13-21(26-23)22(29)25-20-11-9-19(10-12-20)17(3)28/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyUHOUWKNFMDKPMM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.35
Rot. Bonds7

About N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109311664) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
PubChem CID109311664
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(15-18-7-5-4-6-8-18)23-24-14-13-21(26-23)22(29)25-20-11-9-19(10-12-20)17(3)28/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyUHOUWKNFMDKPMM-UHFFFAOYSA-N
XLogP4.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311663
N-(1,3-benzodioxol-5-yl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311667
N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109354129
2-[benzyl(propan-2-yl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296184
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109311637
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304614
2-[benzyl(propan-2-yl)amino]-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109333030
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109305045
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide (CID 109311664) is N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is UHOUWKNFMDKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(2)27(15-18-7-5-4-6-8-18)23-24-14-13-21(26-23)22(29)25-20-11-9-19(10-12-20)17(3)28/h4-14,16H,15H2,1-3H3,(H,25,29).
What are the key properties of N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109311664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).