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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Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
3-[2-(4-aminophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052465
4-fluoro-3-[2-(3-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396289

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).