N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

C34H34N6O3 — CID 163200972

About N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (PubChem CID 163200972) has the molecular formula C34H34N6O3 and a molecular weight of 574.69 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• PubChem CID: 163200972
• Molecular Formula: C34H34N6O3
• Molecular Weight: 574.69 g/mol
• Exact Mass: 574.27
• IUPAC Name: N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• SMILES: Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)Nc3ccc(-c4cc(-c5cnn(C)c5)cnc4N)cc3)c2=O)cc1
• InChI: InChI=1S/C34H34N6O3/c1-22-3-5-25(6-4-22)30-20-40(18-23-11-13-43-14-12-23)21-31(32(30)41)34(42)38-28-9-7-24(8-10-28)29-15-26(16-36-33(29)35)27-17-37-39(2)19-27/h3-10,15-17,19-21,23H,11-14,18H2,1-2H3,(H2,35,36)(H,38,42)
• InChIKey: OENGSVYTCJNWNJ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 117.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.69
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (CID 163200972) is N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)Nc3ccc(-c4cc(-c5cnn(C)c5)cnc4N)cc3)c2=O)cc1.

What is the InChIKey of N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The InChIKey is OENGSVYTCJNWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O3/c1-22-3-5-25(6-4-22)30-20-40(18-23-11-13-43-14-12-23)21-31(32(30)41)34(42)38-28-9-7-24(8-10-28)29-15-26(16-36-33(29)35)27-17-37-39(2)19-27/h3-10,15-17,19-21,23H,11-14,18H2,1-2H3,(H2,35,36)(H,38,42).

What are the key properties of N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide has a molecular weight of 574.69 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 163200972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).