5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C17H22ClN5O2S — CID 144599989

IUPAC5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC=O)c2C(N)=O)C1.CNc1cncc(Cl)c1
InChIInChI=1S/C11H15N3O2S.C6H7ClN2/c1-2-14-4-3-7-8(5-14)17-11(13-6-15)9(7)10(12)16;1-8-6-2-5(7)3-9-4-6/h6H,2-5H2,1H3,(H2,12,16)(H,13,15);2-4,8H,1H3
InChIKeyAQGALNUHSRRVPB-UHFFFAOYSA-N
MW395.92 g/mol
LogP2.57
Rot. Bonds5

About 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 144599989) has the molecular formula C17H22ClN5O2S and a molecular weight of 395.92 g/mol. Its IUPAC name is 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID144599989
Molecular FormulaC17H22ClN5O2S
Molecular Weight395.92 g/mol
Exact Mass395.12
IUPAC Name5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC=O)c2C(N)=O)C1.CNc1cncc(Cl)c1
InChIInChI=1S/C11H15N3O2S.C6H7ClN2/c1-2-14-4-3-7-8(5-14)17-11(13-6-15)9(7)10(12)16;1-8-6-2-5(7)3-9-4-6/h6H,2-5H2,1H3,(H2,12,16)(H,13,15);2-4,8H,1H3
InChIKeyAQGALNUHSRRVPB-UHFFFAOYSA-N
XLogP2.57
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;methanamine
CID 144599906
6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide
CID 129172315
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
CID 118270490
6-ethyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798261
2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307448
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
2-[[(Z)-3-(2-chlorophenyl)prop-2-enoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950319
2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307342
2-[[4-(dimethylamino)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3516740
6-ethyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3647152
6-(2-hydroxyethyl)-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 129172309

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 144599989) is 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC=O)c2C(N)=O)C1.CNc1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is AQGALNUHSRRVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S.C6H7ClN2/c1-2-14-4-3-7-8(5-14)17-11(13-6-15)9(7)10(12)16;1-8-6-2-5(7)3-9-4-6/h6H,2-5H2,1H3,(H2,12,16)(H,13,15);2-4,8H,1H3.
What are the key properties of 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 395.92 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 144599989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).