N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide

C10H9F2N3O — CID 103337419

IUPACN-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCC(C#N)NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C10H9F2N3O/c1-2-6(5-13)15-10(16)7-3-4-14-9(12)8(7)11/h3-4,6H,2H2,1H3,(H,15,16)
InChIKeyNNASBPOHNVNHFE-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.39
Rot. Bonds3

About N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide

N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 103337419) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID103337419
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCC(C#N)NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C10H9F2N3O/c1-2-6(5-13)15-10(16)7-3-4-14-9(12)8(7)11/h3-4,6H,2H2,1H3,(H,15,16)
InChIKeyNNASBPOHNVNHFE-UHFFFAOYSA-N
XLogP1.39
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320
2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
CID 103755069
(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
CID 114037268
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
N-(1-cyanopropyl)-3,5-difluorobenzamide
CID 61119274
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
CID 61119482
N-(1-cyanopropyl)-5-fluoro-2-nitrobenzamide
CID 61119679

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide (CID 103337419) is N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide is CCC(C#N)NC(=O)c1ccnc(F)c1F.
What is the InChIKey of N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is NNASBPOHNVNHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-2-6(5-13)15-10(16)7-3-4-14-9(12)8(7)11/h3-4,6H,2H2,1H3,(H,15,16).
What are the key properties of N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide?
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 225.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 103337419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).