N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide

C12H15Cl2N3O — CID 106993665

IUPACN-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C12H15Cl2N3O/c1-17(7-11(18)15-9-3-4-9)6-8-2-5-10(13)16-12(8)14/h2,5,9H,3-4,6-7H2,1H3,(H,15,18)
InChIKeyDWCRDKCTQCRYME-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.10
Rot. Bonds5

About N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide

N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide (PubChem CID 106993665) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
PubChem CID106993665
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC NameN-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C12H15Cl2N3O/c1-17(7-11(18)15-9-3-4-9)6-8-2-5-10(13)16-12(8)14/h2,5,9H,3-4,6-7H2,1H3,(H,15,18)
InChIKeyDWCRDKCTQCRYME-UHFFFAOYSA-N
XLogP2.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.10
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-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine
CID 106993491
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196347
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 55241095
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide (CID 106993665) is N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide is CN(CC(=O)NC1CC1)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide?
The InChIKey is DWCRDKCTQCRYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-17(7-11(18)15-9-3-4-9)6-8-2-5-10(13)16-12(8)14/h2,5,9H,3-4,6-7H2,1H3,(H,15,18).
What are the key properties of N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide?
N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide has a molecular weight of 288.18 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide is sourced from PubChem (CID 106993665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).