N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide

C12H15FN4O — CID 114035010

IUPACN-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C12H15FN4O/c1-8(4-5-14)17(3)12(18)10-6-9(13)7-16-11(10)15-2/h6-8H,4H2,1-3H3,(H,15,16)
InChIKeyHSMQJDCADKPRBZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.64
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide

N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide (PubChem CID 114035010) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide
PubChem CID114035010
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C12H15FN4O/c1-8(4-5-14)17(3)12(18)10-6-9(13)7-16-11(10)15-2/h6-8H,4H2,1-3H3,(H,15,16)
InChIKeyHSMQJDCADKPRBZ-UHFFFAOYSA-N
XLogP1.64
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589
N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
CID 63228598
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 114035058
N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949105
N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104641279
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
4-amino-N-(1-cyanopropan-2-yl)-3,5-difluoro-N-methylbenzamide
CID 55173776
N-(1-cyanopropan-2-yl)-3,4-difluoro-N-methylbenzamide
CID 55175707
N-(1-cyanopropan-2-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81005646
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 63228421
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849
3-[(5-fluoropyrimidin-2-yl)-methylamino]butanenitrile
CID 115750231

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide (CID 114035010) is N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(F)cc1C(=O)N(C)C(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is HSMQJDCADKPRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-8(4-5-14)17(3)12(18)10-6-9(13)7-16-11(10)15-2/h6-8H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide?
N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 114035010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).