2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide

C12H17Cl2N3O — CID 62892164

IUPAC2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-8(2)15-12(18)7-17(3)6-10-9(13)4-5-11(14)16-10/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyMAWOEPKOFGALOZ-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.34
Rot. Bonds5

About 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide

2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 62892164) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID62892164
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-8(2)15-12(18)7-17(3)6-10-9(13)4-5-11(14)16-10/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyMAWOEPKOFGALOZ-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]acetamide
CID 55127585
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 62890643
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955033
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
1-N-[(3,6-dichloro-2-pyridinyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 113285541
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-ethylamino]acetate
CID 62890414
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]-N-methylacetamide
CID 62891649
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide
CID 62892874
N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine
CID 62892495
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 102665414

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide (CID 62892164) is 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is MAWOEPKOFGALOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-8(2)15-12(18)7-17(3)6-10-9(13)4-5-11(14)16-10/h4-5,8H,6-7H2,1-3H3,(H,15,18).
What are the key properties of 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 290.19 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62892164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).