2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide

C10H11ClN4O — CID 62153601

IUPAC2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCC#N)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C10H11ClN4O/c1-15(4-2-3-12)10(16)7-5-8(11)14-9(13)6-7/h5-6H,2,4H2,1H3,(H2,13,14)
InChIKeyIOSRIOIFPUXVHK-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.30
Rot. Bonds3

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

2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide (PubChem CID 62153601) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
PubChem CID62153601
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCC#N)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C10H11ClN4O/c1-15(4-2-3-12)10(16)7-5-8(11)14-9(13)6-7/h5-6H,2,4H2,1H3,(H2,13,14)
InChIKeyIOSRIOIFPUXVHK-UHFFFAOYSA-N
XLogP1.30
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.30
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-ethyl-N-methylpyridine-4-carboxamide
CID 113379723
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 115760057
N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
CID 103892231
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide (CID 62153601) is 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide is CN(CCC#N)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is IOSRIOIFPUXVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-15(4-2-3-12)10(16)7-5-8(11)14-9(13)6-7/h5-6H,2,4H2,1H3,(H2,13,14).
What are the key properties of 2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide?
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 238.68 g/mol, XLogP of 1.30, 3 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-methylpyridine-4-carboxamide is sourced from PubChem (CID 62153601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).