3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide

C15H18ClN5O2 — CID 2405934

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NN3CCOCC3)n2)n1
InChIInChI=1S/C15H18ClN5O2/c1-10-9-11(2)21(18-10)13-4-3-12(16)14(17-13)15(22)19-20-5-7-23-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,19,22)
InChIKeyOVHZKZBOQQAFCM-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.51
Rot. Bonds3

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 2405934) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
PubChem CID2405934
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NN3CCOCC3)n2)n1
InChIInChI=1S/C15H18ClN5O2/c1-10-9-11(2)21(18-10)13-4-3-12(16)14(17-13)15(22)19-20-5-7-23-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,19,22)
InChIKeyOVHZKZBOQQAFCM-UHFFFAOYSA-N
XLogP1.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide (CID 2405934) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NN3CCOCC3)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is OVHZKZBOQQAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-10-9-11(2)21(18-10)13-4-3-12(16)14(17-13)15(22)19-20-5-7-23-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,19,22).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 335.80 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 2405934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).