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

C16H16Cl2N4O3 — CID 58885815

IUPAC6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cnc(N)c(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H16Cl2N4O3/c1-22(7-14(19)23)16(24)9-5-13(15(20)21-6-9)25-8-10-11(17)3-2-4-12(10)18/h2-6H,7-8H2,1H3,(H2,19,23)(H2,20,21)
InChIKeyNVHMCSJYWWENQG-UHFFFAOYSA-N
MW383.24 g/mol
LogP2.11
Rot. Bonds6

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

6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide (PubChem CID 58885815) has the molecular formula C16H16Cl2N4O3 and a molecular weight of 383.24 g/mol. Its IUPAC name is 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
PubChem CID58885815
Molecular FormulaC16H16Cl2N4O3
Molecular Weight383.24 g/mol
Exact Mass382.06
IUPAC Name6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cnc(N)c(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H16Cl2N4O3/c1-22(7-14(19)23)16(24)9-5-13(15(20)21-6-9)25-8-10-11(17)3-2-4-12(10)18/h2-6H,7-8H2,1H3,(H2,19,23)(H2,20,21)
InChIKeyNVHMCSJYWWENQG-UHFFFAOYSA-N
XLogP2.11
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(cyanomethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
CID 58886213
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
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide
CID 126678910
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide (CID 58885815) is 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide is CN(CC(N)=O)C(=O)c1cnc(N)c(OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The InChIKey is NVHMCSJYWWENQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O3/c1-22(7-14(19)23)16(24)9-5-13(15(20)21-6-9)25-8-10-11(17)3-2-4-12(10)18/h2-6H,7-8H2,1H3,(H2,19,23)(H2,20,21).
What are the key properties of 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 383.24 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 58885815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).