2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide

C11H13FN4O — CID 114034956

IUPAC2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cc(F)cnc1N
InChIInChI=1S/C11H13FN4O/c1-7(4-13)6-16(2)11(17)9-3-8(12)5-15-10(9)14/h3,5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyFJPCEPQQCPPRPX-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide

2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 114034956) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID114034956
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cc(F)cnc1N
InChIInChI=1S/C11H13FN4O/c1-7(4-13)6-16(2)11(17)9-3-8(12)5-15-10(9)14/h3,5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyFJPCEPQQCPPRPX-UHFFFAOYSA-N
XLogP1.03
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2-cyanopropyl)-N,2,4-trimethylbenzamide
CID 102705252
N-(2-cyanopropyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121890
N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
CID 61293660
N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
CID 47861546
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 114034963
4-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 115749937

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide (CID 114034956) is 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide is CC(C#N)CN(C)C(=O)c1cc(F)cnc1N.
What is the InChIKey of 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is FJPCEPQQCPPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-7(4-13)6-16(2)11(17)9-3-8(12)5-15-10(9)14/h3,5,7H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide?
2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 114034956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).