5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide

C9H10ClF2N3O — CID 114924242

IUPAC5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC(F)F)c(Cl)cn1
InChIInChI=1S/C9H10ClF2N3O/c1-13-8-2-5(6(10)3-14-8)9(16)15-4-7(11)12/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyIRZGPOKYAGNVDP-UHFFFAOYSA-N
MW249.65 g/mol
LogP1.77
Rot. Bonds4

About 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924242) has the molecular formula C9H10ClF2N3O and a molecular weight of 249.65 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924242
Molecular FormulaC9H10ClF2N3O
Molecular Weight249.65 g/mol
Exact Mass249.05
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC(F)F)c(Cl)cn1
InChIInChI=1S/C9H10ClF2N3O/c1-13-8-2-5(6(10)3-14-8)9(16)15-4-7(11)12/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyIRZGPOKYAGNVDP-UHFFFAOYSA-N
XLogP1.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924522
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114922058
5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924344
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide (CID 114924242) is 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCC(F)F)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is IRZGPOKYAGNVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3O/c1-13-8-2-5(6(10)3-14-8)9(16)15-4-7(11)12/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 249.65 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).