N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide

C18H19N3OS — CID 133317628

IUPACN-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
SMILESCCCNC(=O)c1cccc(CNc2ccnc3ccsc23)c1
InChIInChI=1S/C18H19N3OS/c1-2-8-20-18(22)14-5-3-4-13(11-14)12-21-15-6-9-19-16-7-10-23-17(15)16/h3-7,9-11H,2,8,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGVHWMDQIUNYHLW-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.05
Rot. Bonds6

About N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide

N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide (PubChem CID 133317628) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
PubChem CID133317628
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
SMILESCCCNC(=O)c1cccc(CNc2ccnc3ccsc23)c1
InChIInChI=1S/C18H19N3OS/c1-2-8-20-18(22)14-5-3-4-13(11-14)12-21-15-6-9-19-16-7-10-23-17(15)16/h3-7,9-11H,2,8,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGVHWMDQIUNYHLW-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133319105
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CID 133297094
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 110968385
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CID 120588630
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614085
3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]-N-propylbenzamide
CID 111260083
3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
CID 138647417

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
The IUPAC name of N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide (CID 133317628) is N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide.
What is the SMILES notation for N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
The canonical SMILES for N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide is CCCNC(=O)c1cccc(CNc2ccnc3ccsc23)c1.
What is the InChIKey of N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
The InChIKey is GVHWMDQIUNYHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-8-20-18(22)14-5-3-4-13(11-14)12-21-15-6-9-19-16-7-10-23-17(15)16/h3-7,9-11H,2,8,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide has a molecular weight of 325.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide is sourced from PubChem (CID 133317628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).