4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide

C28H28N6O2 — CID 174224413

IUPAC4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(-c2c(C(N)=O)ccc(-c3ccc(C(N)=O)cc3)c2-c2ccc(N(C)C)nc2)cn1
InChIInChI=1S/C28H28N6O2/c1-33(2)23-13-9-19(15-31-23)25-21(17-5-7-18(8-6-17)27(29)35)11-12-22(28(30)36)26(25)20-10-14-24(32-16-20)34(3)4/h5-16H,1-4H3,(H2,29,35)(H2,30,36)
InChIKeyAWKOHNLNJQGSAG-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.81
Rot. Bonds7

About 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide

4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide (PubChem CID 174224413) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide
PubChem CID174224413
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(-c2c(C(N)=O)ccc(-c3ccc(C(N)=O)cc3)c2-c2ccc(N(C)C)nc2)cn1
InChIInChI=1S/C28H28N6O2/c1-33(2)23-13-9-19(15-31-23)25-21(17-5-7-18(8-6-17)27(29)35)11-12-22(28(30)36)26(25)20-10-14-24(32-16-20)34(3)4/h5-16H,1-4H3,(H2,29,35)(H2,30,36)
InChIKeyAWKOHNLNJQGSAG-UHFFFAOYSA-N
XLogP3.81
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide (CID 174224413) is 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide is CN(C)c1ccc(-c2c(C(N)=O)ccc(-c3ccc(C(N)=O)cc3)c2-c2ccc(N(C)C)nc2)cn1.
What is the InChIKey of 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide?
The InChIKey is AWKOHNLNJQGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-33(2)23-13-9-19(15-31-23)25-21(17-5-7-18(8-6-17)27(29)35)11-12-22(28(30)36)26(25)20-10-14-24(32-16-20)34(3)4/h5-16H,1-4H3,(H2,29,35)(H2,30,36).
What are the key properties of 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide?
4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide has a molecular weight of 480.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 174224413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).