2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide

C15H12Cl2N4O — CID 133352459

IUPAC2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C#N)nc1
InChIInChI=1S/C15H12Cl2N4O/c1-21(12-4-2-11(7-18)19-8-12)9-15(22)20-10-3-5-13(16)14(17)6-10/h2-6,8H,9H2,1H3,(H,20,22)
InChIKeyLGRMIUNNPVUGFU-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.33
Rot. Bonds4

About 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide

2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 133352459) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID133352459
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C#N)nc1
InChIInChI=1S/C15H12Cl2N4O/c1-21(12-4-2-11(7-18)19-8-12)9-15(22)20-10-3-5-13(16)14(17)6-10/h2-6,8H,9H2,1H3,(H,20,22)
InChIKeyLGRMIUNNPVUGFU-UHFFFAOYSA-N
XLogP3.33
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 99789948
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308
5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 115490495
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9198259
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847741
2-[[(1R,3S)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847739
2-[[(1R,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847742
2-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 34035829

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide (CID 133352459) is 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C#N)nc1.
What is the InChIKey of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is LGRMIUNNPVUGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-21(12-4-2-11(7-18)19-8-12)9-15(22)20-10-3-5-13(16)14(17)6-10/h2-6,8H,9H2,1H3,(H,20,22).
What are the key properties of 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 335.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 133352459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).