5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide

C13H18N4O — CID 54917156

IUPAC5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C13H18N4O/c1-9(2)17(6-4-5-14)13(18)12-7-11(15)8-16-10(12)3/h7-9H,4,6,15H2,1-3H3
InChIKeyGOEXRTRRJRCFNO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.74
Rot. Bonds4

About 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide

5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 54917156) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID54917156
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C13H18N4O/c1-9(2)17(6-4-5-14)13(18)12-7-11(15)8-16-10(12)3/h7-9H,4,6,15H2,1-3H3
InChIKeyGOEXRTRRJRCFNO-UHFFFAOYSA-N
XLogP1.74
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
N-(2-cyanoethyl)-4-hydrazinyl-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 81256489
N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
CID 103636019
3-amino-N-(2-cyanoethyl)-N-propan-2-ylbenzamide
CID 43575153
N-(2-cyanoethyl)-2,4-difluoro-5-methyl-N-propan-2-ylbenzamide
CID 112696491
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
5-amino-N-ethyl-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61040071
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 61040490
N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 62865824
4-chloro-N-(2-cyanoethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54997017
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
5-amino-N-ethyl-2-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 79477889

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 54917156) is 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)N(CCC#N)C(C)C.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GOEXRTRRJRCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)17(6-4-5-14)13(18)12-7-11(15)8-16-10(12)3/h7-9H,4,6,15H2,1-3H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 54917156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).