4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one

C12H18N2O — CID 143524446

IUPAC4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one
SMILESCC(=O)C(NCc1ccncc1)C(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)12(10(3)15)14-8-11-4-6-13-7-5-11/h4-7,9,12,14H,8H2,1-3H3
InChIKeyMXSFHKGIYMQSCX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.78
Rot. Bonds5

About 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one

4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one (PubChem CID 143524446) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one
PubChem CID143524446
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one
SMILESCC(=O)C(NCc1ccncc1)C(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)12(10(3)15)14-8-11-4-6-13-7-5-11/h4-7,9,12,14H,8H2,1-3H3
InChIKeyMXSFHKGIYMQSCX-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;(2S)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid
CID 162691317
(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 28669868
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
methyl (3R)-3-(pyridin-4-ylmethylamino)butanoate
CID 93105938
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
CID 91308032
1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82258073
(2S)-2-(benzylamino)-3-methylbutanethioic S-acid
CID 102042242
(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001
N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one?
The IUPAC name of 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one (CID 143524446) is 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one.
What is the SMILES notation for 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one?
The canonical SMILES for 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one is CC(=O)C(NCc1ccncc1)C(C)C.
What is the InChIKey of 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one?
The InChIKey is MXSFHKGIYMQSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)12(10(3)15)14-8-11-4-6-13-7-5-11/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one?
4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one is sourced from PubChem (CID 143524446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).