N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

C37H39N5O5 — CID 175415570

About N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (PubChem CID 175415570) has the molecular formula C37H39N5O5 and a molecular weight of 633.75 g/mol. Its IUPAC name is N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• PubChem CID: 175415570
• Molecular Formula: C37H39N5O5
• Molecular Weight: 633.75 g/mol
• Exact Mass: 633.30
• IUPAC Name: N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• SMILES: COc1ccc(C2(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(C)cc4)c3=O)C=NC(c3cccnc3N)=CC2)cc1OC
• InChI: InChI=1S/C37H39N5O5/c1-24-6-8-26(9-7-24)29-21-42(20-25-13-17-47-18-14-25)22-30(34(29)43)36(44)41-37(27-10-11-32(45-2)33(19-27)46-3)15-12-31(40-23-37)28-5-4-16-39-35(28)38/h4-12,16,19,21-23,25H,13-15,17-18,20H2,1-3H3,(H2,38,39)(H,41,44)
• InChIKey: DIOWTDXFNDNFNX-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 130.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.75
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (CID 175415570) is N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The canonical SMILES for N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is COc1ccc(C2(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(C)cc4)c3=O)C=NC(c3cccnc3N)=CC2)cc1OC.

What is the InChIKey of N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The InChIKey is DIOWTDXFNDNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O5/c1-24-6-8-26(9-7-24)29-21-42(20-25-13-17-47-18-14-25)22-30(34(29)43)36(44)41-37(27-10-11-32(45-2)33(19-27)46-3)15-12-31(40-23-37)28-5-4-16-39-35(28)38/h4-12,16,19,21-23,25H,13-15,17-18,20H2,1-3H3,(H2,38,39)(H,41,44).

What are the key properties of N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide has a molecular weight of 633.75 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 175415570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).