1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone

C14H15N3O — CID 103721785

IUPAC1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N(C)Cc1ccncc1
InChIInChI=1S/C14H15N3O/c1-11(18)13-4-3-7-16-14(13)17(2)10-12-5-8-15-9-6-12/h3-9H,10H2,1-2H3
InChIKeyCUBZKWYVTUGYGV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone

1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone (PubChem CID 103721785) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
PubChem CID103721785
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N(C)Cc1ccncc1
InChIInChI=1S/C14H15N3O/c1-11(18)13-4-3-7-16-14(13)17(2)10-12-5-8-15-9-6-12/h3-9H,10H2,1-2H3
InChIKeyCUBZKWYVTUGYGV-UHFFFAOYSA-N
XLogP2.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
CID 103721743
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 60977524
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62283984
1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62052597
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide
CID 133318903
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
1-(2-pyridin-4-yl-3-pyridinyl)ethanone
CID 155731304
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449365

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone (CID 103721785) is 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone is CC(=O)c1cccnc1N(C)Cc1ccncc1.
What is the InChIKey of 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone?
The InChIKey is CUBZKWYVTUGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11(18)13-4-3-7-16-14(13)17(2)10-12-5-8-15-9-6-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone?
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone has a molecular weight of 241.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 103721785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).