N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide

C19H24N4O — CID 109250116

IUPACN-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C19H24N4O/c1-2-22(15-16-9-5-3-6-10-16)18(24)17-13-20-19(21-14-17)23-11-7-4-8-12-23/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyRJYBHLUZAOCIEF-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.13
Rot. Bonds5

About N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide

N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109250116) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID109250116
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C19H24N4O/c1-2-22(15-16-9-5-3-6-10-16)18(24)17-13-20-19(21-14-17)23-11-7-4-8-12-23/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyRJYBHLUZAOCIEF-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
CID 109258326
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443096
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 109250116) is N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is RJYBHLUZAOCIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-22(15-16-9-5-3-6-10-16)18(24)17-13-20-19(21-14-17)23-11-7-4-8-12-23/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).