4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide

C12H17ClFN3O — CID 166390434

IUPAC4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Cl)c(F)c1N
InChIInChI=1S/C12H17ClFN3O/c1-3-5-17(6-4-2)12(18)8-7-16-11(13)9(14)10(8)15/h7H,3-6H2,1-2H3,(H2,15,16)
InChIKeyDFCLYAPFBHMFJM-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.72
Rot. Bonds5

About 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide

4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide (PubChem CID 166390434) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide
PubChem CID166390434
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Cl)c(F)c1N
InChIInChI=1S/C12H17ClFN3O/c1-3-5-17(6-4-2)12(18)8-7-16-11(13)9(14)10(8)15/h7H,3-6H2,1-2H3,(H2,15,16)
InChIKeyDFCLYAPFBHMFJM-UHFFFAOYSA-N
XLogP2.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.72
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-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 114034963
5-amino-N,N-dipropyl-1H-pyrazole-4-carboxamide
CID 43159428
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
5-bromo-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 62000655
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567
4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide
CID 110091364
4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226727
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587
2-amino-N,N-dipropylbenzamide
CID 16769117

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide?
The IUPAC name of 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide (CID 166390434) is 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide is CCCN(CCC)C(=O)c1cnc(Cl)c(F)c1N.
What is the InChIKey of 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide?
The InChIKey is DFCLYAPFBHMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O/c1-3-5-17(6-4-2)12(18)8-7-16-11(13)9(14)10(8)15/h7H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide?
4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide has a molecular weight of 273.74 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 166390434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).