N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H30N4O — CID 109373974

IUPACN-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCCC2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H30N4O/c1-14-8-7-11-23(13-14)18-12-17(20-15(2)21-18)19(24)22-16-9-5-3-4-6-10-16/h12,14,16H,3-11,13H2,1-2H3,(H,22,24)
InChIKeyXMBMGUZYLGFEDM-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.47
Rot. Bonds3

About N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109373974) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109373974
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCCC2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H30N4O/c1-14-8-7-11-23(13-14)18-12-17(20-15(2)21-18)19(24)22-16-9-5-3-4-6-10-16/h12,14,16H,3-11,13H2,1-2H3,(H,22,24)
InChIKeyXMBMGUZYLGFEDM-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109372214
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
N-(3-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 112847330
N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95051461
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
1-cyclopentyl-3-[4-[(3R)-3-methylpiperidin-1-yl]-6-pyrrolidin-1-ylpyrimidin-2-yl]thiourea
CID 100790656
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
1-cycloheptyl-3-[4-[(3S)-3-methylpiperidin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]thiourea
CID 125046580
2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112875578
1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172900391

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109373974) is N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NC2CCCCCC2)cc(N2CCCC(C)C2)n1.
What is the InChIKey of N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is XMBMGUZYLGFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-8-7-11-23(13-14)18-12-17(20-15(2)21-18)19(24)22-16-9-5-3-4-6-10-16/h12,14,16H,3-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).