N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide

C21H19N3OS — CID 166294961

IUPACN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)c1nccc2[nH]ccc12
InChIInChI=1S/C21H19N3OS/c1-14-9-12-26-20(14)18(13-15-5-3-2-4-6-15)24-21(25)19-16-7-10-22-17(16)8-11-23-19/h2-12,18,22H,13H2,1H3,(H,24,25)
InChIKeyPKJXYCJGHRVHGF-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.65
Rot. Bonds5

About N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide

N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 166294961) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
PubChem CID166294961
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)c1nccc2[nH]ccc12
InChIInChI=1S/C21H19N3OS/c1-14-9-12-26-20(14)18(13-15-5-3-2-4-6-15)24-21(25)19-16-7-10-22-17(16)8-11-23-19/h2-12,18,22H,13H2,1H3,(H,24,25)
InChIKeyPKJXYCJGHRVHGF-UHFFFAOYSA-N
XLogP4.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56793656
(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
CID 119328368
2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride
CID 119792182
4-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673728
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide
CID 133339940
6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133346016
(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
CID 120793910
N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 95185467
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
CID 75583226
6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine
CID 133471560
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide (CID 166294961) is N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide is Cc1ccsc1C(Cc1ccccc1)NC(=O)c1nccc2[nH]ccc12.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is PKJXYCJGHRVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-14-9-12-26-20(14)18(13-15-5-3-2-4-6-15)24-21(25)19-16-7-10-22-17(16)8-11-23-19/h2-12,18,22H,13H2,1H3,(H,24,25).
What are the key properties of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 166294961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).