3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide

C20H26N4O3 — CID 99928643

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N(Cc1ccccn1)C[C@H]1CCCO1
InChIInChI=1S/C20H26N4O3/c1-14-18(15(2)23-20(26)22-14)8-9-19(25)24(13-17-7-5-11-27-17)12-16-6-3-4-10-21-16/h3-4,6,10,17H,5,7-9,11-13H2,1-2H3,(H,22,23,26)/t17-/m1/s1
InChIKeyIGHXQPBWACZHLQ-QGZVFWFLSA-N
MW370.45 g/mol
LogP1.92
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 99928643) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID99928643
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N(Cc1ccccn1)C[C@H]1CCCO1
InChIInChI=1S/C20H26N4O3/c1-14-18(15(2)23-20(26)22-14)8-9-19(25)24(13-17-7-5-11-27-17)12-16-6-3-4-10-21-16/h3-4,6,10,17H,5,7-9,11-13H2,1-2H3,(H,22,23,26)/t17-/m1/s1
InChIKeyIGHXQPBWACZHLQ-QGZVFWFLSA-N
XLogP1.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 96577763
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylpropanamide
CID 45185082
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylpropanamide
CID 42292205
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 46979215
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide (CID 99928643) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)N(Cc1ccccn1)C[C@H]1CCCO1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is IGHXQPBWACZHLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-18(15(2)23-20(26)22-14)8-9-19(25)24(13-17-7-5-11-27-17)12-16-6-3-4-10-21-16/h3-4,6,10,17H,5,7-9,11-13H2,1-2H3,(H,22,23,26)/t17-/m1/s1.
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 99928643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).