2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide

C13H17ClN4O — CID 62162054

IUPAC2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H17ClN4O/c1-9(2)8-18(5-3-4-15)13(19)10-6-11(14)17-12(16)7-10/h6-7,9H,3,5,8H2,1-2H3,(H2,16,17)
InChIKeyRKGNIZZQEPHNRX-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 62162054) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID62162054
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H17ClN4O/c1-9(2)8-18(5-3-4-15)13(19)10-6-11(14)17-12(16)7-10/h6-7,9H,3,5,8H2,1-2H3,(H2,16,17)
InChIKeyRKGNIZZQEPHNRX-UHFFFAOYSA-N
XLogP2.33
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62235894
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
3-amino-N-(2-cyanoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
CID 61116424
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide (CID 62162054) is 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CN(CCC#N)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is RKGNIZZQEPHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-9(2)8-18(5-3-4-15)13(19)10-6-11(14)17-12(16)7-10/h6-7,9H,3,5,8H2,1-2H3,(H2,16,17).
What are the key properties of 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 62162054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).