N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide

C19H24N4O2 — CID 109264701

IUPACN-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C19H24N4O2/c1-4-9-23(10-5-2)19-20-12-16(13-21-19)18(25)22-17-8-6-7-15(11-17)14(3)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,25)
InChIKeyPDRRZLGDPXSZGK-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.56
Rot. Bonds8

About N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide

N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide (PubChem CID 109264701) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
PubChem CID109264701
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C19H24N4O2/c1-4-9-23(10-5-2)19-20-12-16(13-21-19)18(25)22-17-8-6-7-15(11-17)14(3)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,25)
InChIKeyPDRRZLGDPXSZGK-UHFFFAOYSA-N
XLogP3.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
N-(3-acetamidophenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161832
N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264744
N-(3-acetylphenyl)-2-(butan-2-ylamino)pyrimidine-5-carboxamide
CID 109249149
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588
6-(dipropylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161795
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109264058
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide (CID 109264701) is N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide is CCCN(CCC)c1ncc(C(=O)Nc2cccc(C(C)=O)c2)cn1.
What is the InChIKey of N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The InChIKey is PDRRZLGDPXSZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-9-23(10-5-2)19-20-12-16(13-21-19)18(25)22-17-8-6-7-15(11-17)14(3)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).