N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide

C20H26N4O2 — CID 109263129

IUPACN-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-26-18-12-8-7-11-17(18)24-20-21-13-15(14-22-20)19(25)23-16-9-5-3-4-6-10-16/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyYBCXAEWGKGUSGT-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.07
Rot. Bonds6

About N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide

N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109263129) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109263129
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-26-18-12-8-7-11-17(18)24-20-21-13-15(14-22-20)19(25)23-16-9-5-3-4-6-10-16/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyYBCXAEWGKGUSGT-UHFFFAOYSA-N
XLogP4.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
CID 109250437
methyl 2-[[5-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109263144
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109251112
N-cyclohexyl-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 648229
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (CID 109263129) is N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is CCOc1ccccc1Nc1ncc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is YBCXAEWGKGUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-26-18-12-8-7-11-17(18)24-20-21-13-15(14-22-20)19(25)23-16-9-5-3-4-6-10-16/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).