N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide

C23H24N4O3 — CID 164884754

About N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 164884754) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide
• PubChem CID: 164884754
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3ccc(OC)nc3)cn2)cc1
• InChI: InChI=1S/C23H24N4O3/c1-4-22(28)27(2)19-9-6-17(7-10-19)20-11-8-18(15-24-20)23(29)26-14-16-5-12-21(30-3)25-13-16/h5-13,15H,4,14H2,1-3H3,(H,26,29)
• InChIKey: PYELWZKHTATVBM-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide (CID 164884754) is N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3ccc(OC)nc3)cn2)cc1.

What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide?

The InChIKey is PYELWZKHTATVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-22(28)27(2)19-9-6-17(7-10-19)20-11-8-18(15-24-20)23(29)26-14-16-5-12-21(30-3)25-13-16/h5-13,15H,4,14H2,1-3H3,(H,26,29).

What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide?

N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164884754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).