6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid

C17H16Cl2N2O4 — CID 166381428

IUPAC6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C17H16Cl2N2O4/c1-21(9-11-4-3-5-14(20-11)16(22)23)15(17(24)25-2)10-6-7-12(18)13(19)8-10/h3-8,15H,9H2,1-2H3,(H,22,23)
InChIKeyIWOPQMJALYDZAY-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.43
Rot. Bonds6

About 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid

6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 166381428) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID166381428
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Name6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C17H16Cl2N2O4/c1-21(9-11-4-3-5-14(20-11)16(22)23)15(17(24)25-2)10-6-7-12(18)13(19)8-10/h3-8,15H,9H2,1-2H3,(H,22,23)
InChIKeyIWOPQMJALYDZAY-UHFFFAOYSA-N
XLogP3.43
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 91762891
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 120848191
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
CID 52511728
methyl (2S)-2-(3,4-dichlorophenyl)-2-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylamino]acetate
CID 52513333
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
6-[[[3,5-bis[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]phenyl]methyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122214816
(2S)-2-(3-chloro-4-methoxyphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetic acid
CID 97190063
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
6-[(4-amino-2-chlorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903508

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid (CID 166381428) is 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid is COC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is IWOPQMJALYDZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-21(9-11-4-3-5-14(20-11)16(22)23)15(17(24)25-2)10-6-7-12(18)13(19)8-10/h3-8,15H,9H2,1-2H3,(H,22,23).
What are the key properties of 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid?
6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 383.23 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 166381428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).