N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide

C19H19N3OS — CID 75385509

IUPACN-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1NCc1cccnc1)C(=O)c1cccs1
InChIInChI=1S/C19H19N3OS/c1-22(19(23)18-9-5-11-24-18)14-16-7-2-3-8-17(16)21-13-15-6-4-10-20-12-15/h2-12,21H,13-14H2,1H3
InChIKeyPMOLCMZOALUTNC-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.03
Rot. Bonds6

About N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide

N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 75385509) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide
PubChem CID75385509
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1NCc1cccnc1)C(=O)c1cccs1
InChIInChI=1S/C19H19N3OS/c1-22(19(23)18-9-5-11-24-18)14-16-7-2-3-8-17(16)21-13-15-6-4-10-20-12-15/h2-12,21H,13-14H2,1H3
InChIKeyPMOLCMZOALUTNC-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(pyridin-3-ylmethylamino)phenyl]methanol
CID 43743160
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CID 65024391
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CID 35973505
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 120990425
N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide
CID 126825045
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(pyridin-3-ylmethyl)urea
CID 94017013
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 43813615
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
CID 69258575
CID 69258575
[6-bromo-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 59608085

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide (CID 75385509) is N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide is CN(Cc1ccccc1NCc1cccnc1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is PMOLCMZOALUTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22(19(23)18-9-5-11-24-18)14-16-7-2-3-8-17(16)21-13-15-6-4-10-20-12-15/h2-12,21H,13-14H2,1H3.
What are the key properties of N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide?
N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75385509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).