6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide

C14H20N3O2S+ — CID 144599925

IUPAC6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESC[N+]1(CC2CC2)CCc2c(sc(NC=O)c2C(N)=O)C1
InChIInChI=1S/C14H19N3O2S/c1-17(6-9-2-3-9)5-4-10-11(7-17)20-14(16-8-18)12(10)13(15)19/h8-9H,2-7H2,1H3,(H2-,15,16,18,19)/p+1
InChIKeyCMXQYYHKAMEUQI-UHFFFAOYSA-O
MW294.40 g/mol
LogP1.33
Rot. Bonds5

About 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide

6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide (PubChem CID 144599925) has the molecular formula C14H20N3O2S+ and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
PubChem CID144599925
Molecular FormulaC14H20N3O2S+
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESC[N+]1(CC2CC2)CCc2c(sc(NC=O)c2C(N)=O)C1
InChIInChI=1S/C14H19N3O2S/c1-17(6-9-2-3-9)5-4-10-11(7-17)20-14(16-8-18)12(10)13(15)19/h8-9H,2-7H2,1H3,(H2-,15,16,18,19)/p+1
InChIKeyCMXQYYHKAMEUQI-UHFFFAOYSA-O
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 139457899
6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide
CID 129172315
2-[3-(4-chlorophenyl)-2-oxopropyl]-6-(cyclopropylmethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 161116227
4-chloro-N-methylaniline;6,6-diethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide;ethane
CID 144600007
6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;methanamine
CID 144599906
chloromethane;4-chloro-N-methylaniline;ethane;2-formamido-6,6-bis(3-hydroxypropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 144599979
2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 118307316
2-[(4-chlorophenyl)carbamoylamino]-6-(2-hydroxyethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 118307427
2-[(4-chlorophenyl)carbamoylamino]-6-[3-(dimethylamino)-3-oxopropyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 118307260
2-[(4-chlorophenyl)carbamoylamino]-6-[3-(dimethylamino)-3-oxopropyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide chloride
CID 118307259
2-[(2-cyclopropylacetyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 155961441
2-[(4-chloronaphthalen-1-yl)carbamoylamino]-6-(2,2-dimethylpropyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide chloride
CID 118307358

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
The IUPAC name of 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide (CID 144599925) is 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
The canonical SMILES for 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide is C[N+]1(CC2CC2)CCc2c(sc(NC=O)c2C(N)=O)C1.
What is the InChIKey of 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
The InChIKey is CMXQYYHKAMEUQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N3O2S/c1-17(6-9-2-3-9)5-4-10-11(7-17)20-14(16-8-18)12(10)13(15)19/h8-9H,2-7H2,1H3,(H2-,15,16,18,19)/p+1.
What are the key properties of 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide is sourced from PubChem (CID 144599925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).