3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

C19H18N2O3S — CID 121166121

IUPAC3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-15-8-7-13(11-16(15)24-2)19(22)21-12-14-5-3-9-20-18(14)17-6-4-10-25-17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyPPANNIMWZIAIKO-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.76
Rot. Bonds6

About 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 121166121) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID121166121
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-15-8-7-13(11-16(15)24-2)19(22)21-12-14-5-3-9-20-18(14)17-6-4-10-25-17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyPPANNIMWZIAIKO-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166290
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 59673505
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 121166121) is 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is PPANNIMWZIAIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-15-8-7-13(11-16(15)24-2)19(22)21-12-14-5-3-9-20-18(14)17-6-4-10-25-17/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121166121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).