N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

C21H19FN4O2 — CID 71010099

IUPACN-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1ncc(OC2CC2)cc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H19FN4O2/c1-12-18(10-23-11-19(12)22)21(27)26-20-6-3-14(8-25-20)17-7-16(9-24-13(17)2)28-15-4-5-15/h3,6-11,15H,4-5H2,1-2H3,(H,25,26,27)
InChIKeyGWSQBPYYVPLFAL-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.09
Rot. Bonds5

About N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 71010099) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID71010099
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1ncc(OC2CC2)cc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H19FN4O2/c1-12-18(10-23-11-19(12)22)21(27)26-20-6-3-14(8-25-20)17-7-16(9-24-13(17)2)28-15-4-5-15/h3,6-11,15H,4-5H2,1-2H3,(H,25,26,27)
InChIKeyGWSQBPYYVPLFAL-UHFFFAOYSA-N
XLogP4.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 71010099) is N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1ncc(OC2CC2)cc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is GWSQBPYYVPLFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-18(10-23-11-19(12)22)21(27)26-20-6-3-14(8-25-20)17-7-16(9-24-13(17)2)28-15-4-5-15/h3,6-11,15H,4-5H2,1-2H3,(H,25,26,27).
What are the key properties of N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).