2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide

C30H38N4O4 — CID 71019844

IUPAC2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide
SMILESCCC(C)Oc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)C5CC5)cn4)C3C2)c(C)cc1C(N)=O
InChIInChI=1S/C30H38N4O4/c1-4-18(3)38-26-15-23(17(2)12-24(26)29(31)36)30(37)33-22-13-20-6-5-11-34(25(20)14-22)27-10-9-21(16-32-27)28(35)19-7-8-19/h9-10,12,15-16,18-20,22,25H,4-8,11,13-14H2,1-3H3,(H2,31,36)(H,33,37)
InChIKeyVFVGVLHCANILNT-UHFFFAOYSA-N
MW518.66 g/mol
LogP4.44
Rot. Bonds9

About 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide

2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide (PubChem CID 71019844) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide
PubChem CID71019844
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC Name2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide
SMILESCCC(C)Oc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)C5CC5)cn4)C3C2)c(C)cc1C(N)=O
InChIInChI=1S/C30H38N4O4/c1-4-18(3)38-26-15-23(17(2)12-24(26)29(31)36)30(37)33-22-13-20-6-5-11-34(25(20)14-22)27-10-9-21(16-32-27)28(35)19-7-8-19/h9-10,12,15-16,18-20,22,25H,4-8,11,13-14H2,1-3H3,(H2,31,36)(H,33,37)
InChIKeyVFVGVLHCANILNT-UHFFFAOYSA-N
XLogP4.44
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide (CID 71019844) is 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide is CCC(C)Oc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)C5CC5)cn4)C3C2)c(C)cc1C(N)=O.
What is the InChIKey of 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide?
The InChIKey is VFVGVLHCANILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-4-18(3)38-26-15-23(17(2)12-24(26)29(31)36)30(37)33-22-13-20-6-5-11-34(25(20)14-22)27-10-9-21(16-32-27)28(35)19-7-8-19/h9-10,12,15-16,18-20,22,25H,4-8,11,13-14H2,1-3H3,(H2,31,36)(H,33,37).
What are the key properties of 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide?
2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide has a molecular weight of 518.66 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 71019844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).