N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide

C24H20N4O — CID 56598085

IUPACN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1
InChIInChI=1S/C24H20N4O/c1-17-12-22(10-11-27-17)19-4-2-18(3-5-19)13-28-24(29)21-8-6-20(7-9-21)23-14-25-16-26-15-23/h2-12,14-16H,13H2,1H3,(H,28,29)
InChIKeySPRCHHCSGPNQJI-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.44
Rot. Bonds5

About N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide

N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide (PubChem CID 56598085) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
PubChem CID56598085
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1
InChIInChI=1S/C24H20N4O/c1-17-12-22(10-11-27-17)19-4-2-18(3-5-19)13-28-24(29)21-8-6-20(7-9-21)23-14-25-16-26-15-23/h2-12,14-16H,13H2,1H3,(H,28,29)
InChIKeySPRCHHCSGPNQJI-UHFFFAOYSA-N
XLogP4.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide (CID 56598085) is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide is Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cncnc4)cc3)cc2)ccn1.
What is the InChIKey of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?
The InChIKey is SPRCHHCSGPNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-17-12-22(10-11-27-17)19-4-2-18(3-5-19)13-28-24(29)21-8-6-20(7-9-21)23-14-25-16-26-15-23/h2-12,14-16H,13H2,1H3,(H,28,29).
What are the key properties of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide?
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 56598085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).