4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide

C26H22N4O2 — CID 174224416

IUPAC4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1c(C(N)=O)ccc(-c2ccc(C(N)=O)cc2)c1-c1ccncc1C
InChIInChI=1S/C26H22N4O2/c1-15-13-29-11-9-19(15)23-21(17-3-5-18(6-4-17)25(27)31)7-8-22(26(28)32)24(23)20-10-12-30-14-16(20)2/h3-14H,1-2H3,(H2,27,31)(H2,28,32)
InChIKeyYZPZSBSCOSIADL-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.29
Rot. Bonds5

About 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide

4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide (PubChem CID 174224416) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide
PubChem CID174224416
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1c(C(N)=O)ccc(-c2ccc(C(N)=O)cc2)c1-c1ccncc1C
InChIInChI=1S/C26H22N4O2/c1-15-13-29-11-9-19(15)23-21(17-3-5-18(6-4-17)25(27)31)7-8-22(26(28)32)24(23)20-10-12-30-14-16(20)2/h3-14H,1-2H3,(H2,27,31)(H2,28,32)
InChIKeyYZPZSBSCOSIADL-UHFFFAOYSA-N
XLogP4.29
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide (CID 174224416) is 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide is Cc1cnccc1-c1c(C(N)=O)ccc(-c2ccc(C(N)=O)cc2)c1-c1ccncc1C.
What is the InChIKey of 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide?
The InChIKey is YZPZSBSCOSIADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-15-13-29-11-9-19(15)23-21(17-3-5-18(6-4-17)25(27)31)7-8-22(26(28)32)24(23)20-10-12-30-14-16(20)2/h3-14H,1-2H3,(H2,27,31)(H2,28,32).
What are the key properties of 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide?
4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenyl)-2,3-bis(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 174224416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).