N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C20H24N4O3 — CID 109364113

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)OCO3)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C20H24N4O3/c1-13-5-7-24(8-6-13)19-10-16(22-14(2)23-19)20(25)21-11-15-3-4-17-18(9-15)27-12-26-17/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,21,25)
InChIKeyLPYMEXVZBRQHOA-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.68
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109364113) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109364113
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)OCO3)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C20H24N4O3/c1-13-5-7-24(8-6-13)19-10-16(22-14(2)23-19)20(25)21-11-15-3-4-17-18(9-15)27-12-26-17/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,21,25)
InChIKeyLPYMEXVZBRQHOA-UHFFFAOYSA-N
XLogP2.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364108
1-[6-(1,3-benzodioxol-5-ylmethylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193555
N-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370567
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322286
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109370555
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367935
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-chloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370568
N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 5154889
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365353
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778537

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109364113) is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc3c(c2)OCO3)cc(N2CCC(C)CC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is LPYMEXVZBRQHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-5-7-24(8-6-13)19-10-16(22-14(2)23-19)20(25)21-11-15-3-4-17-18(9-15)27-12-26-17/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.68, 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-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).