N-cycloheptyl-2-methoxypyrimidine-5-carboxamide

C13H19N3O2 — CID 51364566

IUPACN-cycloheptyl-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-13-14-8-10(9-15-13)12(17)16-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,17)
InChIKeyDPSGTCLLBMXZFZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.94
Rot. Bonds3

About N-cycloheptyl-2-methoxypyrimidine-5-carboxamide

N-cycloheptyl-2-methoxypyrimidine-5-carboxamide (PubChem CID 51364566) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cycloheptyl-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methoxypyrimidine-5-carboxamide
PubChem CID51364566
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cycloheptyl-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-13-14-8-10(9-15-13)12(17)16-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,17)
InChIKeyDPSGTCLLBMXZFZ-UHFFFAOYSA-N
XLogP1.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
methyl (2S,4S)-4-[(2-methoxypyrimidine-5-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
CID 50951180
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
CID 126451545
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-methoxypyrimidine-5-carboxamide (CID 51364566) is N-cycloheptyl-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-2-methoxypyrimidine-5-carboxamide?
The InChIKey is DPSGTCLLBMXZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13-14-8-10(9-15-13)12(17)16-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,17).
What are the key properties of N-cycloheptyl-2-methoxypyrimidine-5-carboxamide?
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 51364566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).