2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide

C22H23N3O3 — CID 113019839

IUPAC2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C22H23N3O3/c1-15(2)28-20-11-7-5-9-18(20)25-21-13-12-16(14-23-21)24-22(26)17-8-4-6-10-19(17)27-3/h4-15H,1-3H3,(H,23,25)(H,24,26)
InChIKeyPYCJPAPFULTHSV-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.87
Rot. Bonds7

About 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide

2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide (PubChem CID 113019839) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
PubChem CID113019839
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C22H23N3O3/c1-15(2)28-20-11-7-5-9-18(20)25-21-13-12-16(14-23-21)24-22(26)17-8-4-6-10-19(17)27-3/h4-15H,1-3H3,(H,23,25)(H,24,26)
InChIKeyPYCJPAPFULTHSV-UHFFFAOYSA-N
XLogP4.87
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019828
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
6-(2-methoxy-5-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164204
N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113014776
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
5-(dimethylsulfamoylamino)-2-(2-propan-2-yloxyanilino)pyridine
CID 113019877
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide (CID 113019839) is 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide is COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1.
What is the InChIKey of 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide?
The InChIKey is PYCJPAPFULTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(2)28-20-11-7-5-9-18(20)25-21-13-12-16(14-23-21)24-22(26)17-8-4-6-10-19(17)27-3/h4-15H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide?
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113019839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).