3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

C18H15FN4O — CID 171091243

IUPAC3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2nccc(-c3cnccc3C)c2F)n1
InChIInChI=1S/C18H15FN4O/c1-11-6-8-20-10-14(11)13-7-9-21-17(16(13)19)18(24)23-15-5-3-4-12(2)22-15/h3-10H,1-2H3,(H,22,23,24)
InChIKeyYZBJPSARDBUROX-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.55
Rot. Bonds3

About 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 171091243) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID171091243
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2nccc(-c3cnccc3C)c2F)n1
InChIInChI=1S/C18H15FN4O/c1-11-6-8-20-10-14(11)13-7-9-21-17(16(13)19)18(24)23-15-5-3-4-12(2)22-15/h3-10H,1-2H3,(H,22,23,24)
InChIKeyYZBJPSARDBUROX-UHFFFAOYSA-N
XLogP3.55
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 171091243) is 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2nccc(-c3cnccc3C)c2F)n1.
What is the InChIKey of 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is YZBJPSARDBUROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-11-6-8-20-10-14(11)13-7-9-21-17(16(13)19)18(24)23-15-5-3-4-12(2)22-15/h3-10H,1-2H3,(H,22,23,24).
What are the key properties of 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methyl-3-pyridinyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 171091243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).