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

C13H19N3O — CID 81246007

IUPAC(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CCC(C)(C)C2)cn1
InChIInChI=1S/C13H19N3O/c1-9-6-11(14)10(7-15-9)12(17)16-5-4-13(2,3)8-16/h6-7H,4-5,8H2,1-3H3,(H2,14,15)
InChIKeyWIGVOFQSZPSNAY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.84
Rot. Bonds1

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

(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 81246007) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID81246007
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CCC(C)(C)C2)cn1
InChIInChI=1S/C13H19N3O/c1-9-6-11(14)10(7-15-9)12(17)16-5-4-13(2,3)8-16/h6-7H,4-5,8H2,1-3H3,(H2,14,15)
InChIKeyWIGVOFQSZPSNAY-UHFFFAOYSA-N
XLogP1.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-6-methyl-3-pyridinyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81245179
(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81249569
(4-amino-6-methyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81243379
(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 81235790
(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81242747
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114035004
(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81249021
4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide
CID 113491311
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
(2-chloro-5-nitro-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113251152

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 81246007) is (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is Cc1cc(N)c(C(=O)N2CCC(C)(C)C2)cn1.
What is the InChIKey of (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is WIGVOFQSZPSNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-11(14)10(7-15-9)12(17)16-5-4-13(2,3)8-16/h6-7H,4-5,8H2,1-3H3,(H2,14,15).
What are the key properties of (4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.84, 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)-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81246007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).