N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide

C21H17N5O — CID 3685259

IUPACN-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(-n2cc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
InChIKeyUKGSBPKSNSXMDN-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.26
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide

N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide (PubChem CID 3685259) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
PubChem CID3685259
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(-n2cc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
InChIKeyUKGSBPKSNSXMDN-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide (CID 3685259) is N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide is O=C(NCc1ccccn1)c1ccc(-n2cc(-c3ccncc3)cn2)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
The InChIKey is UKGSBPKSNSXMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27).
What are the key properties of N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide has a molecular weight of 355.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide is sourced from PubChem (CID 3685259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).