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

C22H23N3O3 — CID 113032259

IUPACN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)c1
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)24-17-8-9-20(23-13-17)25-22(26)16-10-18(27-3)12-19(11-16)28-4/h5-13,24H,1-4H3,(H,23,25,26)
InChIKeyVCSKMWNQSLZCPD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.71
Rot. Bonds6

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

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide (PubChem CID 113032259) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
PubChem CID113032259
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)c1
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)24-17-8-9-20(23-13-17)25-22(26)16-10-18(27-3)12-19(11-16)28-4/h5-13,24H,1-4H3,(H,23,25,26)
InChIKeyVCSKMWNQSLZCPD-UHFFFAOYSA-N
XLogP4.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032663
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032412
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
CID 113017171

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide (CID 113032259) is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)c1.
What is the InChIKey of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
The InChIKey is VCSKMWNQSLZCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)24-17-8-9-20(23-13-17)25-22(26)16-10-18(27-3)12-19(11-16)28-4/h5-13,24H,1-4H3,(H,23,25,26).
What are the key properties of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide?
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide has a molecular weight of 377.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113032259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).