5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide

C13H12ClFN4O — CID 114923893

IUPAC5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(F)cn2)c(Cl)cn1
InChIInChI=1S/C13H12ClFN4O/c1-2-16-12-5-9(10(14)7-18-12)13(20)19-11-4-3-8(15)6-17-11/h3-7H,2H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyNQJIWJAMBNLCTK-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 114923893) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
PubChem CID114923893
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(F)cn2)c(Cl)cn1
InChIInChI=1S/C13H12ClFN4O/c1-2-16-12-5-9(10(14)7-18-12)13(20)19-11-4-3-8(15)6-17-11/h3-7H,2H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyNQJIWJAMBNLCTK-UHFFFAOYSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 114922724
5-chloro-N-(5-methyl-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 114921617
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
5-chloro-N-(2,6-dimethyl-3-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114924077
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
5-chloro-N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923170
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923155
5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 114923146
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide (CID 114923893) is 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2ccc(F)cn2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is NQJIWJAMBNLCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c1-2-16-12-5-9(10(14)7-18-12)13(20)19-11-4-3-8(15)6-17-11/h3-7H,2H2,1H3,(H,16,18)(H,17,19,20).
What are the key properties of 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).