5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide

C29H39N5O4 — CID 166705582

About 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide

5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide (PubChem CID 166705582) has the molecular formula C29H39N5O4 and a molecular weight of 521.66 g/mol. Its IUPAC name is 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide
• PubChem CID: 166705582
• Molecular Formula: C29H39N5O4
• Molecular Weight: 521.66 g/mol
• Exact Mass: 521.30
• IUPAC Name: 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide
• SMILES: CCC1(CC)CC(=O)N(C(CCOC)c2cncc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)c2)C(N)=N1
• InChI: InChI=1S/C29H39N5O4/c1-6-29(7-2)16-25(35)34(27(30)33-29)23(12-13-37-5)19-14-20(18-31-17-19)26(36)32-22-15-28(3,4)38-24-11-9-8-10-21(22)24/h8-11,14,17-18,22-23H,6-7,12-13,15-16H2,1-5H3,(H2,30,33)(H,32,36)/t22-,23?/m0/s1
• InChIKey: RQBUZBYDNSCFIN-NQCNTLBGSA-N
• XLogP: 4.30
• TPSA: 119.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.66
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
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-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide?

The IUPAC name of 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide (CID 166705582) is 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-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-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide is CCC1(CC)CC(=O)N(C(CCOC)c2cncc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)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-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide?

The InChIKey is RQBUZBYDNSCFIN-NQCNTLBGSA-N. The full InChI is InChI=1S/C29H39N5O4/c1-6-29(7-2)16-25(35)34(27(30)33-29)23(12-13-37-5)19-14-20(18-31-17-19)26(36)32-22-15-28(3,4)38-24-11-9-8-10-21(22)24/h8-11,14,17-18,22-23H,6-7,12-13,15-16H2,1-5H3,(H2,30,33)(H,32,36)/t22-,23?/m0/s1.

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

5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide has a molecular weight of 521.66 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 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-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166705582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).