N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide

C25H22FN5O3 — CID 44633767

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2cccc(F)n2)nc1OC
InChIInChI=1S/C25H22FN5O3/c1-15-9-16(12-27-11-15)17-10-19(23(28-13-17)20-5-4-6-22(26)31-20)24(32)29-14-18-7-8-21(33-2)25(30-18)34-3/h4-13H,14H2,1-3H3,(H,29,32)
InChIKeyKMNBGNBBPGQSQV-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.00
Rot. Bonds7

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 44633767) has the molecular formula C25H22FN5O3 and a molecular weight of 459.48 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID44633767
Molecular FormulaC25H22FN5O3
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2cccc(F)n2)nc1OC
InChIInChI=1S/C25H22FN5O3/c1-15-9-16(12-27-11-15)17-10-19(23(28-13-17)20-5-4-6-22(26)31-20)24(32)29-14-18-7-8-21(33-2)25(30-18)34-3/h4-13H,14H2,1-3H3,(H,29,32)
InChIKeyKMNBGNBBPGQSQV-UHFFFAOYSA-N
XLogP4.00
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 44633767) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2cccc(F)n2)nc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is KMNBGNBBPGQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3/c1-15-9-16(12-27-11-15)17-10-19(23(28-13-17)20-5-4-6-22(26)31-20)24(32)29-14-18-7-8-21(33-2)25(30-18)34-3/h4-13H,14H2,1-3H3,(H,29,32).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 44633767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).