[6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C16H25N3O2 — CID 99795035

IUPAC[6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)CNc1cccc(C(=O)N2CCC[C@@H]2CO)n1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)11-17-14-8-4-7-13(18-14)15(21)19-9-5-6-12(19)10-20/h4,7-8,12,20H,5-6,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyKQHDTMAKGMJWLS-GFCCVEGCSA-N
MW291.39 g/mol
LogP2.14
Rot. Bonds4

About [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 99795035) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID99795035
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)CNc1cccc(C(=O)N2CCC[C@@H]2CO)n1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)11-17-14-8-4-7-13(18-14)15(21)19-9-5-6-12(19)10-20/h4,7-8,12,20H,5-6,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyKQHDTMAKGMJWLS-GFCCVEGCSA-N
XLogP2.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 99795035) is [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CC(C)(C)CNc1cccc(C(=O)N2CCC[C@@H]2CO)n1.
What is the InChIKey of [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KQHDTMAKGMJWLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)11-17-14-8-4-7-13(18-14)15(21)19-9-5-6-12(19)10-20/h4,7-8,12,20H,5-6,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-dimethylpropylamino)-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99795035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).