N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide

C16H15N3O3 — CID 100752853

IUPACN-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15N3O3/c1-9-12(7-17-15(18-9)10-2-3-10)16(20)19-11-4-5-13-14(6-11)22-8-21-13/h4-7,10H,2-3,8H2,1H3,(H,19,20)
InChIKeyVAMCQKPBUXBVOG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.64
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide (PubChem CID 100752853) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide
PubChem CID100752853
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15N3O3/c1-9-12(7-17-15(18-9)10-2-3-10)16(20)19-11-4-5-13-14(6-11)22-8-21-13/h4-7,10H,2-3,8H2,1H3,(H,19,20)
InChIKeyVAMCQKPBUXBVOG-UHFFFAOYSA-N
XLogP2.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 46345478
N-(1,3-benzodioxol-5-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913568
2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
CID 155955800
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 46345686
N-(1,3-benzodioxol-5-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39427750
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180197
N-(1,3-benzodioxol-5-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136523125

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide (CID 100752853) is N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide is Cc1nc(C2CC2)ncc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is VAMCQKPBUXBVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-9-12(7-17-15(18-9)10-2-3-10)16(20)19-11-4-5-13-14(6-11)22-8-21-13/h4-7,10H,2-3,8H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 100752853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).