[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C16H25N3O2 — CID 103358188

IUPAC[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCC(C)(O)C2)cc(C(C)C)n1
InChIInChI=1S/C16H25N3O2/c1-5-17-14-9-12(8-13(18-14)11(2)3)15(20)19-7-6-16(4,21)10-19/h8-9,11,21H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyGUUZVZJUVIDTTG-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.23
Rot. Bonds4

About [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103358188) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103358188
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCC(C)(O)C2)cc(C(C)C)n1
InChIInChI=1S/C16H25N3O2/c1-5-17-14-9-12(8-13(18-14)11(2)3)15(20)19-7-6-16(4,21)10-19/h8-9,11,21H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyGUUZVZJUVIDTTG-UHFFFAOYSA-N
XLogP2.23
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US11072585, Example 107
CID 122516841
[3-[[[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 122517025
US11072585, Example 105
CID 122517026
(2-((4-Fluoro-2-methylphenylamino)methyl)-6-(3-hydroxypyrrolidin-1-yl)pyridin-4-yl)(3-hydroxypyrrolidin-1-yl)methanone
CID 44592340
2-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72897627
2-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-5,6-dimethylnicotinamide
CID 72922837
2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 162651920
(9E,12S)-12-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-10,17-dimethyl-2,13,18-triazabicyclo[13.3.1]nonadeca-1(18),9,15(19),16-tetraen-14-one
CID 166612083
3-[(Dimethylamino)methyl]-1-(2,6-dimethylisonicotinoyl)pyrrolidin-3-ol
CID 77084907
[4-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]phenyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125447371
(3S,4S)-4-methyl-1-[6-methyl-2-(methylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 126840472
N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
CID 67508726

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103358188) is [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CCNc1cc(C(=O)N2CCC(C)(O)C2)cc(C(C)C)n1.
What is the InChIKey of [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is GUUZVZJUVIDTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-17-14-9-12(8-13(18-14)11(2)3)15(20)19-7-6-16(4,21)10-19/h8-9,11,21H,5-7,10H2,1-4H3,(H,17,18).
What are the key properties of [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103358188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).