4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

C23H31N5O2 — CID 46979215

IUPAC4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C23H31N5O2/c1-17-8-11-27(12-9-17)23-25-14-21(18(2)26-23)22(29)28(16-20-7-5-13-30-20)15-19-6-3-4-10-24-19/h3-4,6,10,14,17,20H,5,7-9,11-13,15-16H2,1-2H3
InChIKeyIWHGYDCIYDNCKA-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.24
Rot. Bonds6

About 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 46979215) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID46979215
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C23H31N5O2/c1-17-8-11-27(12-9-17)23-25-14-21(18(2)26-23)22(29)28(16-20-7-5-13-30-20)15-19-6-3-4-10-24-19/h3-4,6,10,14,17,20H,5,7-9,11-13,15-16H2,1-2H3
InChIKeyIWHGYDCIYDNCKA-UHFFFAOYSA-N
XLogP3.24
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
N-(oxolan-2-ylmethyl)-2-(prop-2-enylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 50984302
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 46979215) is 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is Cc1nc(N2CCC(C)CC2)ncc1C(=O)N(Cc1ccccn1)CC1CCCO1.
What is the InChIKey of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is IWHGYDCIYDNCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-17-8-11-27(12-9-17)23-25-14-21(18(2)26-23)22(29)28(16-20-7-5-13-30-20)15-19-6-3-4-10-24-19/h3-4,6,10,14,17,20H,5,7-9,11-13,15-16H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 46979215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).