N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C18H28N4O — CID 109250891

IUPACN-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC3CCCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O/c1-14-8-10-22(11-9-14)18-19-12-15(13-20-18)17(23)21-16-6-4-2-3-5-7-16/h12-14,16H,2-11H2,1H3,(H,21,23)
InChIKeyGKSXJHLATXDQFY-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.17
Rot. Bonds3

About N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109250891) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109250891
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC3CCCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O/c1-14-8-10-22(11-9-14)18-19-12-15(13-20-18)17(23)21-16-6-4-2-3-5-7-16/h12-14,16H,2-11H2,1H3,(H,21,23)
InChIKeyGKSXJHLATXDQFY-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
CID 109250307
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
N-cyclohexyl-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102999
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109250891) is N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CC1CCN(c2ncc(C(=O)NC3CCCCCC3)cn2)CC1.
What is the InChIKey of N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is GKSXJHLATXDQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-8-10-22(11-9-14)18-19-12-15(13-20-18)17(23)21-16-6-4-2-3-5-7-16/h12-14,16H,2-11H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).