(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone

C14H21N3O — CID 81235790

IUPAC(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CC(C)CC(C)C2)cn1
InChIInChI=1S/C14H21N3O/c1-9-4-10(2)8-17(7-9)14(18)12-6-16-11(3)5-13(12)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyBELVYSIZOAVUMJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds1

About (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone

(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 81235790) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID81235790
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CC(C)CC(C)C2)cn1
InChIInChI=1S/C14H21N3O/c1-9-4-10(2)8-17(7-9)14(18)12-6-16-11(3)5-13(12)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyBELVYSIZOAVUMJ-UHFFFAOYSA-N
XLogP2.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81242747
(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 81246007
(4-amino-6-methyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81243379
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(3,5-dimethylpiperidin-1-yl)-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 42938714
(4-amino-6-methyl-3-pyridinyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81245179
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804437
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(3,4-dihydroxypyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 106673912

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 81235790) is (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone is Cc1cc(N)c(C(=O)N2CC(C)CC(C)C2)cn1.
What is the InChIKey of (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is BELVYSIZOAVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-4-10(2)8-17(7-9)14(18)12-6-16-11(3)5-13(12)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,15,16).
What are the key properties of (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 81235790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).