5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

C27H35N5O4 — CID 166705673

About 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (PubChem CID 166705673) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
• PubChem CID: 166705673
• Molecular Formula: C27H35N5O4
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.27
• IUPAC Name: 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
• SMILES: CCC1(CC)CC(=O)N(C(CCOC)c2cncc(C(=O)NC3c4ccccc4C[C@H]3O)c2)C(N)=N1
• InChI: InChI=1S/C27H35N5O4/c1-4-27(5-2)14-23(34)32(26(28)31-27)21(10-11-36-3)18-12-19(16-29-15-18)25(35)30-24-20-9-7-6-8-17(20)13-22(24)33/h6-9,12,15-16,21-22,24,33H,4-5,10-11,13-14H2,1-3H3,(H2,28,31)(H,30,35)/t21?,22-,24?/m1/s1
• InChIKey: REBFUHYVZVFCIZ-XERBYJISSA-N
• XLogP: 2.65
• TPSA: 130.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?

The IUPAC name of 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (CID 166705673) is 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is CCC1(CC)CC(=O)N(C(CCOC)c2cncc(C(=O)NC3c4ccccc4C[C@H]3O)c2)C(N)=N1.

What is the InChIKey of 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?

The InChIKey is REBFUHYVZVFCIZ-XERBYJISSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-4-27(5-2)14-23(34)32(26(28)31-27)21(10-11-36-3)18-12-19(16-29-15-18)25(35)30-24-20-9-7-6-8-17(20)13-22(24)33/h6-9,12,15-16,21-22,24,33H,4-5,10-11,13-14H2,1-3H3,(H2,28,31)(H,30,35)/t21?,22-,24?/m1/s1.

What are the key properties of 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?

5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166705673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).