N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

C18H20N4O2 — CID 91628628

IUPACN-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C18H20N4O2/c1-13(23)14-6-5-7-15(10-14)21-18(24)16-11-17(20-12-19-16)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,24)
InChIKeyOGWMRVUCALGCTC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds4

About N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91628628) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID91628628
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C18H20N4O2/c1-13(23)14-6-5-7-15(10-14)21-18(24)16-11-17(20-12-19-16)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,24)
InChIKeyOGWMRVUCALGCTC-UHFFFAOYSA-N
XLogP2.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 68556711
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109341612
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 91628628) is N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(N3CCCCC3)ncn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is OGWMRVUCALGCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)14-6-5-7-15(10-14)21-18(24)16-11-17(20-12-19-16)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91628628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).