1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone

C15H15ClN2O — CID 103721743

IUPAC1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-11(19)14-7-4-8-17-15(14)18(2)10-12-5-3-6-13(16)9-12/h3-9H,10H2,1-2H3
InChIKeyYDXHYMFNNSEGHY-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone

1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone (PubChem CID 103721743) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
PubChem CID103721743
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-11(19)14-7-4-8-17-15(14)18(2)10-12-5-3-6-13(16)9-12/h3-9H,10H2,1-2H3
InChIKeyYDXHYMFNNSEGHY-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide
CID 133318903
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide
CID 138007376
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone (CID 103721743) is 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone is CC(=O)c1cccnc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone?
The InChIKey is YDXHYMFNNSEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(19)14-7-4-8-17-15(14)18(2)10-12-5-3-6-13(16)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone?
1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone has a molecular weight of 274.75 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone is sourced from PubChem (CID 103721743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).