N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide

C16H18ClN3O2 — CID 110753997

IUPACN-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(c1cccnc1)N(C)C
InChIInChI=1S/C16H18ClN3O2/c1-20(2)15(11-5-4-8-18-10-11)16(21)19-13-9-12(17)6-7-14(13)22-3/h4-10,15H,1-3H3,(H,19,21)
InChIKeyPZCHDRJFPYSSBH-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.98
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide

N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide (PubChem CID 110753997) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide
PubChem CID110753997
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(c1cccnc1)N(C)C
InChIInChI=1S/C16H18ClN3O2/c1-20(2)15(11-5-4-8-18-10-11)16(21)19-13-9-12(17)6-7-14(13)22-3/h4-10,15H,1-3H3,(H,19,21)
InChIKeyPZCHDRJFPYSSBH-UHFFFAOYSA-N
XLogP2.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
CID 8004337
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
CID 110296795
ethyl 2-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]benzoate
CID 110754063
(2S)-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 27245811
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
(2R)-N-(5-chloro-2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1371327
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide (CID 110753997) is N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide is COc1ccc(Cl)cc1NC(=O)C(c1cccnc1)N(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide?
The InChIKey is PZCHDRJFPYSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20(2)15(11-5-4-8-18-10-11)16(21)19-13-9-12(17)6-7-14(13)22-3/h4-10,15H,1-3H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide has a molecular weight of 319.79 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 110753997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).