N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide

C19H20N4OS — CID 146430998

IUPACN-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide
SMILESC=CN(/C(=N\C)c1cccc(N2Cc3c(C)csc3C2=O)n1)C1CC1
InChIInChI=1S/C19H20N4OS/c1-4-22(13-8-9-13)18(20-3)15-6-5-7-16(21-15)23-10-14-12(2)11-25-17(14)19(23)24/h4-7,11,13H,1,8-10H2,2-3H3/b20-18-
InChIKeyWTTQMMUDYZJEIS-ZZEZOPTASA-N
MW352.46 g/mol
LogP3.60
Rot. Bonds4

About N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide

N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide (PubChem CID 146430998) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide
PubChem CID146430998
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide
SMILESC=CN(/C(=N\C)c1cccc(N2Cc3c(C)csc3C2=O)n1)C1CC1
InChIInChI=1S/C19H20N4OS/c1-4-22(13-8-9-13)18(20-3)15-6-5-7-16(21-15)23-10-14-12(2)11-25-17(14)19(23)24/h4-7,11,13H,1,8-10H2,2-3H3/b20-18-
InChIKeyWTTQMMUDYZJEIS-ZZEZOPTASA-N
XLogP3.60
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(1S)-1-aminopropyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N-ethenyl-N'-methyl-N-propylpyridine-2-carboximidamide
CID 157026870
3-bromo-5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one;5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(2-methylpropylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-methylpropan-1-amine
CID 158561612
3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119194986
N-cyclopropyl-N-[(1R)-1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26318281
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
ethyl 2-[[cyclopropyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1198331
[6-chloro-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]carbamic acid
CID 172706044
2-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)guanidine
CID 45077657
6-[7-(aminomethyl)-6-methoxy-3-oxo-1H-isoindol-2-yl]-N-butan-2-yl-N-methanimidoylpyridine-2-carboximidamide
CID 166830311
3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide
CID 155359332
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-2-carboxylic acid
CID 62239218

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide?
The IUPAC name of N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide (CID 146430998) is N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide?
The canonical SMILES for N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide is C=CN(/C(=N\C)c1cccc(N2Cc3c(C)csc3C2=O)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide?
The InChIKey is WTTQMMUDYZJEIS-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H20N4OS/c1-4-22(13-8-9-13)18(20-3)15-6-5-7-16(21-15)23-10-14-12(2)11-25-17(14)19(23)24/h4-7,11,13H,1,8-10H2,2-3H3/b20-18-.
What are the key properties of N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide?
N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide has a molecular weight of 352.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethenyl-N'-methyl-6-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 146430998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).