6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C22H21FN4O2 — CID 153360908

IUPAC6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)c(F)c1
InChIInChI=1S/C22H21FN4O2/c1-3-21(28)27(2)17-7-8-18(19(23)11-17)20-9-6-16(14-25-20)22(29)26-13-15-5-4-10-24-12-15/h4-12,14H,3,13H2,1-2H3,(H,26,29)
InChIKeyHYPVGGZMWFPSRK-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.59
Rot. Bonds6

About 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 153360908) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID153360908
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)c(F)c1
InChIInChI=1S/C22H21FN4O2/c1-3-21(28)27(2)17-7-8-18(19(23)11-17)20-9-6-16(14-25-20)22(29)26-13-15-5-4-10-24-12-15/h4-12,14H,3,13H2,1-2H3,(H,26,29)
InChIKeyHYPVGGZMWFPSRK-UHFFFAOYSA-N
XLogP3.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360760
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167538672
N-[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167701388
N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
CID 153360624
N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide
CID 164884754
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 153360908) is 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)c(F)c1.
What is the InChIKey of 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HYPVGGZMWFPSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-3-21(28)27(2)17-7-8-18(19(23)11-17)20-9-6-16(14-25-20)22(29)26-13-15-5-4-10-24-12-15/h4-12,14H,3,13H2,1-2H3,(H,26,29).
What are the key properties of 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 153360908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).