5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide

C14H10ClFN4O — CID 114923271

IUPAC5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(Cl)cn1
InChIInChI=1S/C14H10ClFN4O/c1-18-13-5-10(11(15)7-19-13)14(21)20-9-2-3-12(16)8(4-9)6-17/h2-5,7H,1H3,(H,18,19)(H,20,21)
InChIKeyBTZLUCKRUHOJJH-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.04
Rot. Bonds3

About 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114923271) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114923271
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(Cl)cn1
InChIInChI=1S/C14H10ClFN4O/c1-18-13-5-10(11(15)7-19-13)14(21)20-9-2-3-12(16)8(4-9)6-17/h2-5,7H,1H3,(H,18,19)(H,20,21)
InChIKeyBTZLUCKRUHOJJH-UHFFFAOYSA-N
XLogP3.04
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924481
5-chloro-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924828
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921935
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924765
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922037
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107801317
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide (CID 114923271) is 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is BTZLUCKRUHOJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c1-18-13-5-10(11(15)7-19-13)14(21)20-9-2-3-12(16)8(4-9)6-17/h2-5,7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 304.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).