N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide

C19H21N3O2S — CID 3714895

IUPACN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)C)C3)cc1
InChIInChI=1S/C19H21N3O2S/c1-12(2)22-9-8-15-16(10-20)19(25-17(15)11-22)21-18(23)13-4-6-14(24-3)7-5-13/h4-7,12H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyUXOGBPGLSMQNHE-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.65
Rot. Bonds4

About N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide

N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide (PubChem CID 3714895) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
PubChem CID3714895
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)C)C3)cc1
InChIInChI=1S/C19H21N3O2S/c1-12(2)22-9-8-15-16(10-20)19(25-17(15)11-22)21-18(23)13-4-6-14(24-3)7-5-13/h4-7,12H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyUXOGBPGLSMQNHE-UHFFFAOYSA-N
XLogP3.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
CID 4183537
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)propanamide
CID 4282187
2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806305
methyl 3-cyano-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7589108
methyl 2-(naphthalene-2-carbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4050209
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806268
ethyl 3-cyano-2-[(4-propan-2-yloxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3530539
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide
CID 4684725
methyl 2-[(4-bromobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 71778286
ethyl 2-[(4-acetylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3260996
methyl 2-[[4-(dimethylamino)benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5070168

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide (CID 3714895) is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)C)C3)cc1.
What is the InChIKey of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide?
The InChIKey is UXOGBPGLSMQNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12(2)22-9-8-15-16(10-20)19(25-17(15)11-22)21-18(23)13-4-6-14(24-3)7-5-13/h4-7,12H,8-9,11H2,1-3H3,(H,21,23).
What are the key properties of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide?
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide has a molecular weight of 355.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 3714895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).