2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide

C17H28N4O — CID 109363505

IUPAC2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-4-9-21(10-5-2)17(22)15-13-16(19-14(3)18-15)20-11-7-6-8-12-20/h13H,4-12H2,1-3H3
InChIKeyMJCMLTUFJDGLQJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.04
Rot. Bonds6

About 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide

2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109363505) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109363505
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-4-9-21(10-5-2)17(22)15-13-16(19-14(3)18-15)20-11-7-6-8-12-20/h13H,4-12H2,1-3H3
InChIKeyMJCMLTUFJDGLQJ-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 112847027
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112847677
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
CID 109362582
6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373405
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
ethyl 4-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109363656
N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide (CID 109363505) is 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(N2CCCCC2)nc(C)n1.
What is the InChIKey of 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is MJCMLTUFJDGLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-9-21(10-5-2)17(22)15-13-16(19-14(3)18-15)20-11-7-6-8-12-20/h13H,4-12H2,1-3H3.
What are the key properties of 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide?
2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).