N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide

C26H21N5O2 — CID 56596231

IUPACN-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H21N5O2/c1-31(26(32)25-16-24(29-30-25)23-8-4-5-15-27-23)20-11-13-21(14-12-20)33-17-19-10-9-18-6-2-3-7-22(18)28-19/h2-16H,17H2,1H3,(H,29,30)
InChIKeyVHZKDDIQMBXKQV-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.88
Rot. Bonds6

About N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide

N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 56596231) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID56596231
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H21N5O2/c1-31(26(32)25-16-24(29-30-25)23-8-4-5-15-27-23)20-11-13-21(14-12-20)33-17-19-10-9-18-6-2-3-7-22(18)28-19/h2-16H,17H2,1H3,(H,29,30)
InChIKeyVHZKDDIQMBXKQV-UHFFFAOYSA-N
XLogP4.88
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 56596231) is N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is CN(C(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VHZKDDIQMBXKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-31(26(32)25-16-24(29-30-25)23-8-4-5-15-27-23)20-11-13-21(14-12-20)33-17-19-10-9-18-6-2-3-7-22(18)28-19/h2-16H,17H2,1H3,(H,29,30).
What are the key properties of N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide?
N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56596231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).