(10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione

C35H42N4O7 — CID 165421563

About (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione

(10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione (PubChem CID 165421563) has the molecular formula C35H42N4O7 and a molecular weight of 630.74 g/mol. Its IUPAC name is (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione.

Molecular Properties

• Compound Name: (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
• PubChem CID: 165421563
• Molecular Formula: C35H42N4O7
• Molecular Weight: 630.74 g/mol
• Exact Mass: 630.31
• IUPAC Name: (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione
• SMILES: CCCN1CC(=O)N[C@H]2CCN(C(=O)c3cc(C)c(CC)n(C)c3=O)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1=O
• InChI: InChI=1S/C35H42N4O7/c1-6-14-38-20-32(40)36-27-13-15-39(35(43)26-16-22(3)28(7-2)37(4)34(26)42)19-31(27)45-21-23-9-8-10-25(17-23)46-30-18-24(33(38)41)11-12-29(30)44-5/h8-12,16-18,27,31H,6-7,13-15,19-21H2,1-5H3,(H,36,40)/t27-,31-/m0/s1
• InChIKey: RLKPNUFADPQGRG-DHIFEGFHSA-N
• XLogP: 3.84
• TPSA: 119.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.74
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

The IUPAC name of (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione (CID 165421563) is (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione.

What is the SMILES notation for (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

The canonical SMILES for (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione is CCCN1CC(=O)N[C@H]2CCN(C(=O)c3cc(C)c(CC)n(C)c3=O)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1=O.

What is the InChIKey of (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

The InChIKey is RLKPNUFADPQGRG-DHIFEGFHSA-N. The full InChI is InChI=1S/C35H42N4O7/c1-6-14-38-20-32(40)36-27-13-15-39(35(43)26-16-22(3)28(7-2)37(4)34(26)42)19-31(27)45-21-23-9-8-10-25(17-23)46-30-18-24(33(38)41)11-12-29(30)44-5/h8-12,16-18,27,31H,6-7,13-15,19-21H2,1-5H3,(H,36,40)/t27-,31-/m0/s1.

What are the key properties of (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione?

(10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione has a molecular weight of 630.74 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,15S)-12-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-24-methoxy-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaene-17,20-dione is sourced from PubChem (CID 165421563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).