6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide

C35H39N7O3S — CID 176673191

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc(CCc3ccc(C)cn3)c2-c2nnc(C)o2)s1.c1cnc2c(c1)CCC2
InChIInChI=1S/C27H30N6O3S.C8H9N/c1-14(2)12-19-22(25(28)34)24(20-10-11-21(37-20)26(35)29-5)23(27-33-32-16(4)36-27)18(31-19)9-8-17-7-6-15(3)13-30-17;1-3-7-4-2-6-9-8(7)5-1/h6-7,10-11,13-14H,8-9,12H2,1-5H3,(H2,28,34)(H,29,35);2,4,6H,1,3,5H2
InChIKeyCIDAVNGGCWKTJD-UHFFFAOYSA-N
MW637.81 g/mol
LogP5.88
Rot. Bonds9

About 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide

6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide (PubChem CID 176673191) has the molecular formula C35H39N7O3S and a molecular weight of 637.81 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide
PubChem CID176673191
Molecular FormulaC35H39N7O3S
Molecular Weight637.81 g/mol
Exact Mass637.28
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc(CCc3ccc(C)cn3)c2-c2nnc(C)o2)s1.c1cnc2c(c1)CCC2
InChIInChI=1S/C27H30N6O3S.C8H9N/c1-14(2)12-19-22(25(28)34)24(20-10-11-21(37-20)26(35)29-5)23(27-33-32-16(4)36-27)18(31-19)9-8-17-7-6-15(3)13-30-17;1-3-7-4-2-6-9-8(7)5-1/h6-7,10-11,13-14H,8-9,12H2,1-5H3,(H2,28,34)(H,29,35);2,4,6H,1,3,5H2
InChIKeyCIDAVNGGCWKTJD-UHFFFAOYSA-N
XLogP5.88
TPSA149.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.81
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide (CID 176673191) is 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide is CNC(=O)c1ccc(-c2c(C(N)=O)c(CC(C)C)nc(CCc3ccc(C)cn3)c2-c2nnc(C)o2)s1.c1cnc2c(c1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?
The InChIKey is CIDAVNGGCWKTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3S.C8H9N/c1-14(2)12-19-22(25(28)34)24(20-10-11-21(37-20)26(35)29-5)23(27-33-32-16(4)36-27)18(31-19)9-8-17-7-6-15(3)13-30-17;1-3-7-4-2-6-9-8(7)5-1/h6-7,10-11,13-14H,8-9,12H2,1-5H3,(H2,28,34)(H,29,35);2,4,6H,1,3,5H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?
6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide has a molecular weight of 637.81 g/mol, XLogP of 5.88, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridine;4-[5-(methylcarbamoyl)thiophen-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 176673191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).