N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide

C21H21N3O2 — CID 113016868

IUPACN-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3cc(C)ccc3C)nc2)c1
InChIInChI=1S/C21H21N3O2/c1-14-7-8-15(2)19(11-14)24-20-10-9-17(13-22-20)23-21(25)16-5-4-6-18(12-16)26-3/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyYPSYPQIBKGEUFT-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide

N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 113016868) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID113016868
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3cc(C)ccc3C)nc2)c1
InChIInChI=1S/C21H21N3O2/c1-14-7-8-15(2)19(11-14)24-20-10-9-17(13-22-20)23-21(25)16-5-4-6-18(12-16)26-3/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyYPSYPQIBKGEUFT-UHFFFAOYSA-N
XLogP4.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,5-dichloroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113022275
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021470
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide (CID 113016868) is N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3cc(C)ccc3C)nc2)c1.
What is the InChIKey of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is YPSYPQIBKGEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-7-8-15(2)19(11-14)24-20-10-9-17(13-22-20)23-21(25)16-5-4-6-18(12-16)26-3/h4-13H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide?
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113016868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).