2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide

C23H23N3O3 — CID 44571867

IUPAC2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-20-8-4-6-17(12-20)22(27)25-18-10-9-16(3)21(13-18)23(28)26-19-7-5-11-24-14-19/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyTTWDGZVSFNXYLO-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.68
Rot. Bonds6

About 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide

2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 44571867) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID44571867
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H23N3O3/c1-15(2)29-20-8-4-6-17(12-20)22(27)25-18-10-9-16(3)21(13-18)23(28)26-19-7-5-11-24-14-19/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyTTWDGZVSFNXYLO-UHFFFAOYSA-N
XLogP4.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 44571867) is 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is TTWDGZVSFNXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)29-20-8-4-6-17(12-20)22(27)25-18-10-9-16(3)21(13-18)23(28)26-19-7-5-11-24-14-19/h4-15H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-propan-2-yloxybenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).