2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide

C18H14ClFN4O — CID 113027789

IUPAC2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN4O/c19-14-4-1-5-15(20)17(14)18(25)24-16-7-6-13(11-23-16)22-10-12-3-2-8-21-9-12/h1-9,11,22H,10H2,(H,23,24,25)
InChIKeyUDEAORURAMUDMR-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

About 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide

2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide (PubChem CID 113027789) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
PubChem CID113027789
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN4O/c19-14-4-1-5-15(20)17(14)18(25)24-16-7-6-13(11-23-16)22-10-12-3-2-8-21-9-12/h1-9,11,22H,10H2,(H,23,24,25)
InChIKeyUDEAORURAMUDMR-UHFFFAOYSA-N
XLogP4.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013311
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
CID 113012780
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925692
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013450
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide (CID 113027789) is 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide is O=C(Nc1ccc(NCc2cccnc2)cn1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide?
The InChIKey is UDEAORURAMUDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-14-4-1-5-15(20)17(14)18(25)24-16-7-6-13(11-23-16)22-10-12-3-2-8-21-9-12/h1-9,11,22H,10H2,(H,23,24,25).
What are the key properties of 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide has a molecular weight of 356.79 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113027789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).