6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide

C16H14Cl2N4O2 — CID 58886213

IUPAC6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
SMILESCN(CC#N)C(=O)c1cnc(N)c(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N4O2/c1-22(6-5-19)16(23)10-7-14(15(20)21-8-10)24-9-11-12(17)3-2-4-13(11)18/h2-4,7-8H,6,9H2,1H3,(H2,20,21)
InChIKeyWEJVMJGROCKCMX-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.15
Rot. Bonds5

About 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide

6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide (PubChem CID 58886213) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
PubChem CID58886213
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
SMILESCN(CC#N)C(=O)c1cnc(N)c(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N4O2/c1-22(6-5-19)16(23)10-7-14(15(20)21-8-10)24-9-11-12(17)3-2-4-13(11)18/h2-4,7-8H,6,9H2,1H3,(H2,20,21)
InChIKeyWEJVMJGROCKCMX-UHFFFAOYSA-N
XLogP3.15
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
CID 58885815
4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
CID 10318129
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 58886296
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 58885848
2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol
CID 10451208
5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
CID 21110956
2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 58886146
[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 10004959
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide (CID 58886213) is 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide is CN(CC#N)C(=O)c1cnc(N)c(OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The InChIKey is WEJVMJGROCKCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-22(6-5-19)16(23)10-7-14(15(20)21-8-10)24-9-11-12(17)3-2-4-13(11)18/h2-4,7-8H,6,9H2,1H3,(H2,20,21).
What are the key properties of 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 365.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 58886213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).