2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide

C16H21N5O2 — CID 84590222

IUPAC2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN3CCOCC3)cn2)n(C)n1
InChIInChI=1S/C16H21N5O2/c1-12-9-14(20(2)19-12)16(22)18-15-4-3-13(10-17-15)11-21-5-7-23-8-6-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,17,18,22)
InChIKeyXPCUIAIDAZTHIM-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.21
Rot. Bonds4

About 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 84590222) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID84590222
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN3CCOCC3)cn2)n(C)n1
InChIInChI=1S/C16H21N5O2/c1-12-9-14(20(2)19-12)16(22)18-15-4-3-13(10-17-15)11-21-5-7-23-8-6-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,17,18,22)
InChIKeyXPCUIAIDAZTHIM-UHFFFAOYSA-N
XLogP1.21
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 84590222) is 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cn2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is XPCUIAIDAZTHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-9-14(20(2)19-12)16(22)18-15-4-3-13(10-17-15)11-21-5-7-23-8-6-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,17,18,22).
What are the key properties of 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 84590222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).