3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide

C22H23N3O2 — CID 113017819

IUPAC3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(C(C)C)cc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)16-7-9-18(10-8-16)24-21-12-11-19(14-23-21)25-22(26)17-5-4-6-20(13-17)27-3/h4-15H,1-3H3,(H,23,24)(H,25,26)
InChIKeyHQTNZCMLQDBMLY-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.21
Rot. Bonds6

About 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide

3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113017819) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
PubChem CID113017819
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(C(C)C)cc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)16-7-9-18(10-8-16)24-21-12-11-19(14-23-21)25-22(26)17-5-4-6-20(13-17)27-3/h4-15H,1-3H3,(H,23,24)(H,25,26)
InChIKeyHQTNZCMLQDBMLY-UHFFFAOYSA-N
XLogP5.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113022275
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113016868
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128208
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide (CID 113017819) is 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccc(C(C)C)cc3)nc2)c1.
What is the InChIKey of 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is HQTNZCMLQDBMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)16-7-9-18(10-8-16)24-21-12-11-19(14-23-21)25-22(26)17-5-4-6-20(13-17)27-3/h4-15H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113017819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).