2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide

C12H15FN4O2 — CID 105386249

IUPAC2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H15FN4O2/c1-19-8-7-17(6-2-4-14)12(18)9-3-5-16-11(15)10(9)13/h3,5H,2,6-8H2,1H3,(H2,15,16)
InChIKeyKIGIMTXJFSFTSQ-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.81
Rot. Bonds6

About 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide

2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 105386249) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID105386249
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H15FN4O2/c1-19-8-7-17(6-2-4-14)12(18)9-3-5-16-11(15)10(9)13/h3,5H,2,6-8H2,1H3,(H2,15,16)
InChIKeyKIGIMTXJFSFTSQ-UHFFFAOYSA-N
XLogP0.81
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide
CID 104578268
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
N-(2-cyanoethyl)-4-(ethylamino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 63286908
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-sulfanylbenzamide
CID 107029635

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 105386249) is 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCN(CCC#N)C(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is KIGIMTXJFSFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c1-19-8-7-17(6-2-4-14)12(18)9-3-5-16-11(15)10(9)13/h3,5H,2,6-8H2,1H3,(H2,15,16).
What are the key properties of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 266.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105386249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).