2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C19H22N4O4S — CID 43950391

IUPAC2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(N)=O)C1
InChIInChI=1S/C19H22N4O4S/c1-3-8-22-9-7-13-15(10-22)28-19(16(13)17(20)24)21-18(25)12-5-4-6-14(11(12)2)23(26)27/h4-6H,3,7-10H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyAPNRNHLXGIVERD-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.08
Rot. Bonds6

About 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43950391) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43950391
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(N)=O)C1
InChIInChI=1S/C19H22N4O4S/c1-3-8-22-9-7-13-15(10-22)28-19(16(13)17(20)24)21-18(25)12-5-4-6-14(11(12)2)23(26)27/h4-6H,3,7-10H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyAPNRNHLXGIVERD-UHFFFAOYSA-N
XLogP3.08
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-3-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4190072
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-methyl-3-nitrobenzamide
CID 43950676
2-[(2,4-difluorobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950373
6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16813892
ethyl (6S)-6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7282751
2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 45284095
(6S)-6-methyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1021494
ethyl 3-carbamoyl-2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3320130
N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methyl-3-nitrobenzamide
CID 43950677
methyl (6R)-6-ethyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 40538728
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
6-benzyl-2-[(2-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3646854

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43950391) is 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(N)=O)C1.
What is the InChIKey of 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is APNRNHLXGIVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-3-8-22-9-7-13-15(10-22)28-19(16(13)17(20)24)21-18(25)12-5-4-6-14(11(12)2)23(26)27/h4-6H,3,7-10H2,1-2H3,(H2,20,24)(H,21,25).
What are the key properties of 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43950391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).