N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide

C22H23N3O3 — CID 113032412

IUPACN-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)c2cc(OC)cc(OC)c2)nc1
InChIInChI=1S/C22H23N3O3/c1-4-15-7-5-6-8-20(15)24-17-9-10-21(23-14-17)25-22(26)16-11-18(27-2)13-19(12-16)28-3/h5-14,24H,4H2,1-3H3,(H,23,25,26)
InChIKeyGYGVNBMHBFJQNW-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.66
Rot. Bonds7

About N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide

N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide (PubChem CID 113032412) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
PubChem CID113032412
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)c2cc(OC)cc(OC)c2)nc1
InChIInChI=1S/C22H23N3O3/c1-4-15-7-5-6-8-20(15)24-17-9-10-21(23-14-17)25-22(26)16-11-18(27-2)13-19(12-16)28-3/h5-14,24H,4H2,1-3H3,(H,23,25,26)
InChIKeyGYGVNBMHBFJQNW-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032411
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032663
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032259
N-[5-(2-ethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032428
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113011445
N-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide (CID 113032412) is N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide is CCc1ccccc1Nc1ccc(NC(=O)c2cc(OC)cc(OC)c2)nc1.
What is the InChIKey of N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
The InChIKey is GYGVNBMHBFJQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-15-7-5-6-8-20(15)24-17-9-10-21(23-14-17)25-22(26)16-11-18(27-2)13-19(12-16)28-3/h5-14,24H,4H2,1-3H3,(H,23,25,26).
What are the key properties of N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide has a molecular weight of 377.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113032412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).