N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide

C10H7FN4O — CID 63971968

IUPACN,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccc(F)nc1
InChIInChI=1S/C10H7FN4O/c11-9-2-1-8(7-14-9)10(16)15(5-3-12)6-4-13/h1-2,7H,5-6H2
InChIKeyGGRKZTNUDMEFFI-UHFFFAOYSA-N
MW218.19 g/mol
LogP0.71
Rot. Bonds3

About N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide

N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63971968) has the molecular formula C10H7FN4O and a molecular weight of 218.19 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
PubChem CID63971968
Molecular FormulaC10H7FN4O
Molecular Weight218.19 g/mol
Exact Mass218.06
IUPAC NameN,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccc(F)nc1
InChIInChI=1S/C10H7FN4O/c11-9-2-1-8(7-14-9)10(16)15(5-3-12)6-4-13/h1-2,7H,5-6H2
InChIKeyGGRKZTNUDMEFFI-UHFFFAOYSA-N
XLogP0.71
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide
CID 55042439
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190
3,4-dichloro-N,N-bis(cyanomethyl)benzamide
CID 5018129
4-chloro-N,N-bis(cyanomethyl)benzamide
CID 728640
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
CID 63979001
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
N,N-bis(cyanomethyl)-4-ethoxybenzamide
CID 710517
6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63979343

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide (CID 63971968) is N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide is N#CCN(CC#N)C(=O)c1ccc(F)nc1.
What is the InChIKey of N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is GGRKZTNUDMEFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O/c11-9-2-1-8(7-14-9)10(16)15(5-3-12)6-4-13/h1-2,7H,5-6H2.
What are the key properties of N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide?
N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 218.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63971968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).