3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide

C20H29N5O — CID 124947513

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
SMILESCc1cccc(N2CCC[C@@H](N(C)C(=O)CCc3cnn(C)c3C)C2)n1
InChIInChI=1S/C20H29N5O/c1-15-7-5-9-19(22-15)25-12-6-8-18(14-25)23(3)20(26)11-10-17-13-21-24(4)16(17)2/h5,7,9,13,18H,6,8,10-12,14H2,1-4H3/t18-/m1/s1
InChIKeyCGEWYXQQMZOMHN-GOSISDBHSA-N
MW355.49 g/mol
LogP2.49
Rot. Bonds5

About 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide

3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide (PubChem CID 124947513) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
PubChem CID124947513
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
SMILESCc1cccc(N2CCC[C@@H](N(C)C(=O)CCc3cnn(C)c3C)C2)n1
InChIInChI=1S/C20H29N5O/c1-15-7-5-9-19(22-15)25-12-6-8-18(14-25)23(3)20(26)11-10-17-13-21-24(4)16(17)2/h5,7,9,13,18H,6,8,10-12,14H2,1-4H3/t18-/m1/s1
InChIKeyCGEWYXQQMZOMHN-GOSISDBHSA-N
XLogP2.49
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide (CID 124947513) is 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide is Cc1cccc(N2CCC[C@@H](N(C)C(=O)CCc3cnn(C)c3C)C2)n1.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide?
The InChIKey is CGEWYXQQMZOMHN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-7-5-9-19(22-15)25-12-6-8-18(14-25)23(3)20(26)11-10-17-13-21-24(4)16(17)2/h5,7,9,13,18H,6,8,10-12,14H2,1-4H3/t18-/m1/s1.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide?
3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide has a molecular weight of 355.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 124947513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).