5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

C14H20N4O — CID 61114721

IUPAC5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C14H20N4O/c1-10(2)9-18(6-4-5-15)14(19)13-7-12(16)8-17-11(13)3/h7-8,10H,4,6,9,16H2,1-3H3
InChIKeyHIAMYPJKZDMYAQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds5

About 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 61114721) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID61114721
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C14H20N4O/c1-10(2)9-18(6-4-5-15)14(19)13-7-12(16)8-17-11(13)3/h7-8,10H,4,6,9,16H2,1-3H3
InChIKeyHIAMYPJKZDMYAQ-UHFFFAOYSA-N
XLogP1.98
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 54917156
5-amino-N-ethyl-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61040071
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61107661
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61108035
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
5-amino-N-ethyl-2-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 79477889
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62160184
N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60656645

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 61114721) is 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)N(CCC#N)CC(C)C.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is HIAMYPJKZDMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)9-18(6-4-5-15)14(19)13-7-12(16)8-17-11(13)3/h7-8,10H,4,6,9,16H2,1-3H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.98, 5 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-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 61114721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).