N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide

C21H28N4O — CID 112852907

IUPACN-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-2-3-8-13-22-21(26)18-16-19(25-14-9-5-10-15-25)24-20(23-18)17-11-6-4-7-12-17/h4,6-7,11-12,16H,2-3,5,8-10,13-15H2,1H3,(H,22,26)
InChIKeyNHGQIYHSFIMRIJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.05
Rot. Bonds7

About N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide

N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 112852907) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID112852907
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-2-3-8-13-22-21(26)18-16-19(25-14-9-5-10-15-25)24-20(23-18)17-11-6-4-7-12-17/h4,6-7,11-12,16H,2-3,5,8-10,13-15H2,1H3,(H,22,26)
InChIKeyNHGQIYHSFIMRIJ-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851395
N-[(4-methoxyphenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852647
N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852645
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853038
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854369
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 112852907) is N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(N2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is NHGQIYHSFIMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-3-8-13-22-21(26)18-16-19(25-14-9-5-10-15-25)24-20(23-18)17-11-6-4-7-12-17/h4,6-7,11-12,16H,2-3,5,8-10,13-15H2,1H3,(H,22,26).
What are the key properties of N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).