5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide

C28H23ClN4O — CID 25225135

IUPAC5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)cc(-c2cnc(-c3cnn(C)c3)c(C(=O)NCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C28H23ClN4O/c1-18-9-22(12-25(29)10-18)23-13-26(27(30-15-23)24-16-32-33(2)17-24)28(34)31-14-19-7-8-20-5-3-4-6-21(20)11-19/h3-13,15-17H,14H2,1-2H3,(H,31,34)
InChIKeyBGHMNXDXPMYMKJ-UHFFFAOYSA-N
MW466.97 g/mol
LogP6.19
Rot. Bonds5

About 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide

5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 25225135) has the molecular formula C28H23ClN4O and a molecular weight of 466.97 g/mol. Its IUPAC name is 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID25225135
Molecular FormulaC28H23ClN4O
Molecular Weight466.97 g/mol
Exact Mass466.16
IUPAC Name5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)cc(-c2cnc(-c3cnn(C)c3)c(C(=O)NCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C28H23ClN4O/c1-18-9-22(12-25(29)10-18)23-13-26(27(30-15-23)24-16-32-33(2)17-24)28(34)31-14-19-7-8-20-5-3-4-6-21(20)11-19/h3-13,15-17H,14H2,1-2H3,(H,31,34)
InChIKeyBGHMNXDXPMYMKJ-UHFFFAOYSA-N
XLogP6.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide (CID 25225135) is 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(Cl)cc(-c2cnc(-c3cnn(C)c3)c(C(=O)NCc3ccc4ccccc4c3)c2)c1.
What is the InChIKey of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BGHMNXDXPMYMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O/c1-18-9-22(12-25(29)10-18)23-13-26(27(30-15-23)24-16-32-33(2)17-24)28(34)31-14-19-7-8-20-5-3-4-6-21(20)11-19/h3-13,15-17H,14H2,1-2H3,(H,31,34).
What are the key properties of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?
5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25225135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).