2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide

C15H18ClN3O2 — CID 71983484

IUPAC2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)Cc1ccco1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H18ClN3O2/c1-18(9-12-5-6-14(16)17-8-12)11-15(20)19(2)10-13-4-3-7-21-13/h3-8H,9-11H2,1-2H3
InChIKeyFMYCXGPYTHNVCQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.42
Rot. Bonds6

About 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 71983484) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID71983484
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)Cc1ccco1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H18ClN3O2/c1-18(9-12-5-6-14(16)17-8-12)11-15(20)19(2)10-13-4-3-7-21-13/h3-8H,9-11H2,1-2H3
InChIKeyFMYCXGPYTHNVCQ-UHFFFAOYSA-N
XLogP2.42
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 61426881
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601511
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 24653336
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 71983484) is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(CC(=O)N(C)Cc1ccco1)Cc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is FMYCXGPYTHNVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-18(9-12-5-6-14(16)17-8-12)11-15(20)19(2)10-13-4-3-7-21-13/h3-8H,9-11H2,1-2H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 307.78 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 71983484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).