3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide

C22H31N5O2 — CID 92624339

IUPAC3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide
SMILESCNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)CCc2ccc(OC)cc2)n1
InChIInChI=1S/C22H31N5O2/c1-23-20-13-19(17-5-4-12-24-14-17)25-21(26-20)15-27(2)22(28)11-8-16-6-9-18(29-3)10-7-16/h6-7,9-10,13,17,24H,4-5,8,11-12,14-15H2,1-3H3,(H,23,25,26)/t17-/m1/s1
InChIKeyNLVTZYXAHOKMKL-QGZVFWFLSA-N
MW397.52 g/mol
LogP2.59
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide

3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide (PubChem CID 92624339) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide
PubChem CID92624339
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide
SMILESCNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)CCc2ccc(OC)cc2)n1
InChIInChI=1S/C22H31N5O2/c1-23-20-13-19(17-5-4-12-24-14-17)25-21(26-20)15-27(2)22(28)11-8-16-6-9-18(29-3)10-7-16/h6-7,9-10,13,17,24H,4-5,8,11-12,14-15H2,1-3H3,(H,23,25,26)/t17-/m1/s1
InChIKeyNLVTZYXAHOKMKL-QGZVFWFLSA-N
XLogP2.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3S)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide
CID 92624340
N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide
CID 110259724
N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 92624362
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
N-[[4-(dimethylamino)-6-[(3S)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 92624444
N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide
CID 92624383
N-[[4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-2-methoxy-N-methylacetamide
CID 92621056
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 61029723

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide (CID 92624339) is 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide is CNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)CCc2ccc(OC)cc2)n1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide?
The InChIKey is NLVTZYXAHOKMKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-23-20-13-19(17-5-4-12-24-14-17)25-21(26-20)15-27(2)22(28)11-8-16-6-9-18(29-3)10-7-16/h6-7,9-10,13,17,24H,4-5,8,11-12,14-15H2,1-3H3,(H,23,25,26)/t17-/m1/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide?
3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 92624339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).