N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C18H21ClN4O2 — CID 46601522

IUPACN-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H21ClN4O2/c1-12-5-4-6-13(2)18(12)22-17(25)11-23(3)10-16(24)21-15-8-7-14(19)9-20-15/h4-9H,10-11H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyYUCDUAPFBLYCGQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.86
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 46601522) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID46601522
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H21ClN4O2/c1-12-5-4-6-13(2)18(12)22-17(25)11-23(3)10-16(24)21-15-8-7-14(19)9-20-15/h4-9H,10-11H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyYUCDUAPFBLYCGQ-UHFFFAOYSA-N
XLogP2.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
CID 18087925
N-(5-chloro-2-pyridinyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86908832
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17449089
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
N-(5-chloro-2-pyridinyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196345
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2545119
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38344585
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 46601522) is N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is YUCDUAPFBLYCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-5-4-6-13(2)18(12)22-17(25)11-23(3)10-16(24)21-15-8-7-14(19)9-20-15/h4-9H,10-11H2,1-3H3,(H,22,25)(H,20,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 360.85 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 46601522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).