[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C16H21N5O — CID 56824989

IUPAC[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1
InChIInChI=1S/C16H21N5O/c1-19(2)15-7-6-12(9-17-15)16(22)21-8-4-5-14(21)13-10-18-20(3)11-13/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyXJWDCKSVDPYKOL-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.86
Rot. Bonds3

About [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 56824989) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID56824989
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1
InChIInChI=1S/C16H21N5O/c1-19(2)15-7-6-12(9-17-15)16(22)21-8-4-5-14(21)13-10-18-20(3)11-13/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyXJWDCKSVDPYKOL-UHFFFAOYSA-N
XLogP1.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 56824989) is [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XJWDCKSVDPYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-19(2)15-7-6-12(9-17-15)16(22)21-8-4-5-14(21)13-10-18-20(3)11-13/h6-7,9-11,14H,4-5,8H2,1-3H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56824989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).