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

C19H26N4O2 — CID 136877410

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

3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide (PubChem CID 136877410) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide
• PubChem CID: 136877410
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide
• SMILES: CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O)C(C)C
• InChI: InChI=1S/C19H26N4O2/c1-5-16(12(2)3)22-17(24)9-8-15-13(4)21-18(23-19(15)25)14-7-6-10-20-11-14/h6-7,10-12,16H,5,8-9H2,1-4H3,(H,22,24)(H,21,23,25)/t16-/m1/s1
• InChIKey: DFLURQDRRDUPBK-MRXNPFEDSA-N
• XLogP: 2.62
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide?

The IUPAC name of 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide (CID 136877410) is 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide.

What is the SMILES notation for 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide?

The canonical SMILES for 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide is CC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O)C(C)C.

What is the InChIKey of 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide?

The InChIKey is DFLURQDRRDUPBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-16(12(2)3)22-17(24)9-8-15-13(4)21-18(23-19(15)25)14-7-6-10-20-11-14/h6-7,10-12,16H,5,8-9H2,1-4H3,(H,22,24)(H,21,23,25)/t16-/m1/s1.

What are the key properties of 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide?

3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide is sourced from PubChem (CID 136877410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).