2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide

C13H12ClFN4O — CID 103893174

IUPAC2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(F)cnc2Cl)cn1
InChIInChI=1S/C13H12ClFN4O/c1-19(2)11-4-3-9(7-16-11)18-13(20)10-5-8(15)6-17-12(10)14/h3-7H,1-2H3,(H,18,20)
InChIKeyPBIDYWXLFYFBQM-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide

2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide (PubChem CID 103893174) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
PubChem CID103893174
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(F)cnc2Cl)cn1
InChIInChI=1S/C13H12ClFN4O/c1-19(2)11-4-3-9(7-16-11)18-13(20)10-5-8(15)6-17-12(10)14/h3-7H,1-2H3,(H,18,20)
InChIKeyPBIDYWXLFYFBQM-UHFFFAOYSA-N
XLogP2.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
CID 115745290
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
N-[6-(dimethylamino)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 62512980
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103891998

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide (CID 103893174) is 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cc(F)cnc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is PBIDYWXLFYFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c1-19(2)11-4-3-9(7-16-11)18-13(20)10-5-8(15)6-17-12(10)14/h3-7H,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide?
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103893174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).