2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide

C16H26N4O — CID 109299018

IUPAC2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H26N4O/c1-3-4-5-9-17-15(21)14-6-10-18-16(19-14)20-11-7-13(2)8-12-20/h6,10,13H,3-5,7-9,11-12H2,1-2H3,(H,17,21)
InChIKeyUOKPXCHSQBXESD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide

2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide (PubChem CID 109299018) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
PubChem CID109299018
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H26N4O/c1-3-4-5-9-17-15(21)14-6-10-18-16(19-14)20-11-7-13(2)8-12-20/h6,10,13H,3-5,7-9,11-12H2,1-2H3,(H,17,21)
InChIKeyUOKPXCHSQBXESD-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
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-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298960
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
2-(4-benzylpiperazin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109309418
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298970
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298973
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109296562
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299118
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
N-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299069
N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide (CID 109299018) is 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1ccnc(N2CCC(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
The InChIKey is UOKPXCHSQBXESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-4-5-9-17-15(21)14-6-10-18-16(19-14)20-11-7-13(2)8-12-20/h6,10,13H,3-5,7-9,11-12H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109299018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).