N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide

C23H24N4O2 — CID 109354129

IUPACN-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)ncn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(14-18-7-5-4-6-8-18)22-13-21(24-15-25-22)23(29)26-20-11-9-19(10-12-20)17(3)28/h4-13,15-16H,14H2,1-3H3,(H,26,29)
InChIKeyHETMNUREHSMWJC-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.35
Rot. Bonds7

About N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109354129) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
PubChem CID109354129
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)ncn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(14-18-7-5-4-6-8-18)22-13-21(24-15-25-22)23(29)26-20-11-9-19(10-12-20)17(3)28/h4-13,15-16H,14H2,1-3H3,(H,26,29)
InChIKeyHETMNUREHSMWJC-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

6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113
6-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109354130
6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311664
6-[benzyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348774
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
N-(3-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311663
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109217259

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide (CID 109354129) is N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)ncn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is HETMNUREHSMWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(2)27(14-18-7-5-4-6-8-18)22-13-21(24-15-25-22)23(29)26-20-11-9-19(10-12-20)17(3)28/h4-13,15-16H,14H2,1-3H3,(H,26,29).
What are the key properties of N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-[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)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109354129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).