N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

C27H26N4O3S — CID 59389867

IUPACN-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCc1ccncc1)C2
InChIInChI=1S/C27H26N4O3S/c1-34-23-5-3-2-4-18(23)20-14-21(20)26(33)30-27-22(15-28)19-10-13-31(16-24(19)35-27)25(32)7-6-17-8-11-29-12-9-17/h2-5,8-9,11-12,20-21H,6-7,10,13-14,16H2,1H3,(H,30,33)
InChIKeyHDEPPZVCMORKJE-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.28
Rot. Bonds7

About N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 59389867) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID59389867
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC NameN-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCc1ccncc1)C2
InChIInChI=1S/C27H26N4O3S/c1-34-23-5-3-2-4-18(23)20-14-21(20)26(33)30-27-22(15-28)19-10-13-31(16-24(19)35-27)25(32)7-6-17-8-11-29-12-9-17/h2-5,8-9,11-12,20-21H,6-7,10,13-14,16H2,1H3,(H,30,33)
InChIKeyHDEPPZVCMORKJE-UHFFFAOYSA-N
XLogP4.28
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide
CID 59389861
N-[3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 59301577
N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 59301583
(Z)-but-2-enedioic acid;N-[3-cyano-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 68635879
N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 11961260
pyridin-4-ylmethyl 3-cyano-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 59306446
pyridin-4-ylmethyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11857584
N-[3-cyano-6-(3-pyrimidin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide
CID 59389962
N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 59301566
N-[3-cyano-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
CID 59301579
N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide
CID 59389928
N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 68609631

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 59389867) is N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCc1ccncc1)C2.
What is the InChIKey of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is HDEPPZVCMORKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-34-23-5-3-2-4-18(23)20-14-21(20)26(33)30-27-22(15-28)19-10-13-31(16-24(19)35-27)25(32)7-6-17-8-11-29-12-9-17/h2-5,8-9,11-12,20-21H,6-7,10,13-14,16H2,1H3,(H,30,33).
What are the key properties of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59389867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).