(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

C14H21N3O — CID 139360995

IUPAC(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C)(N)C2)ccn1
InChIInChI=1S/C14H21N3O/c1-10(2)12-8-11(4-6-16-12)13(18)17-7-5-14(3,15)9-17/h4,6,8,10H,5,7,9,15H2,1-3H3
InChIKeyCHOLJOHDXKWBRH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.77
Rot. Bonds2

About (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (PubChem CID 139360995) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
PubChem CID139360995
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C)(N)C2)ccn1
InChIInChI=1S/C14H21N3O/c1-10(2)12-8-11(4-6-16-12)13(18)17-7-5-14(3,15)9-17/h4,6,8,10H,5,7,9,15H2,1-3H3
InChIKeyCHOLJOHDXKWBRH-UHFFFAOYSA-N
XLogP1.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547191
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
2-propan-2-ylpyridine-4-carboxamide
CID 53424773
(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547190
1-(2-bromopyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081850
[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
CID 99776885
[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358188
1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone
CID 167632094
(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115683387
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)pyridine-2-carboxylic acid
CID 107457873
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The IUPAC name of (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (CID 139360995) is (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The canonical SMILES for (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is CC(C)c1cc(C(=O)N2CCC(C)(N)C2)ccn1.
What is the InChIKey of (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The InChIKey is CHOLJOHDXKWBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)12-8-11(4-6-16-12)13(18)17-7-5-14(3,15)9-17/h4,6,8,10H,5,7,9,15H2,1-3H3.
What are the key properties of (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 139360995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).