N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

C19H22N4O3 — CID 109264292

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C19H22N4O3/c1-2-15-5-3-4-8-23(15)19-20-10-13(11-21-19)18(24)22-14-6-7-16-17(9-14)26-12-25-16/h6-7,9-11,15H,2-5,8,12H2,1H3,(H,22,24)
InChIKeyLAJNTNLIGGNBQN-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.23
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109264292) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109264292
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C19H22N4O3/c1-2-15-5-3-4-8-23(15)19-20-10-13(11-21-19)18(24)22-14-6-7-16-17(9-14)26-12-25-16/h6-7,9-11,15H,2-5,8,12H2,1H3,(H,22,24)
InChIKeyLAJNTNLIGGNBQN-UHFFFAOYSA-N
XLogP3.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450
N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264308
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
N-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044943
N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 51302524
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864365
N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109234587

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109264292) is N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is LAJNTNLIGGNBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-15-5-3-4-8-23(15)19-20-10-13(11-21-19)18(24)22-14-6-7-16-17(9-14)26-12-25-16/h6-7,9-11,15H,2-5,8,12H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).