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2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide

C29H37N5O — CID 155749763

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide
SMILESCCN(C)/C=C1/N=CC(N[C@@H](C)c2cc(NC(=O)Cc3ccc4c(n3)CCC4)ccc2C)=CC1C
InChIInChI=1S/C29H37N5O/c1-6-34(5)18-28-20(3)14-25(17-30-28)31-21(4)26-15-23(12-10-19(26)2)33-29(35)16-24-13-11-22-8-7-9-27(22)32-24/h10-15,17-18,20-21,31H,6-9,16H2,1-5H3,(H,33,35)/b28-18+/t20?,21-/m0/s1
InChIKeyGVIJEMAHARDWKT-SDGCBMODSA-N
MW471.65 g/mol
LogP5.11
Rot. Bonds8

About 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide (PubChem CID 155749763) has the molecular formula C29H37N5O and a molecular weight of 471.65 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide
PubChem CID155749763
Molecular FormulaC29H37N5O
Molecular Weight471.65 g/mol
Exact Mass471.30
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide
SMILESCCN(C)/C=C1/N=CC(N[C@@H](C)c2cc(NC(=O)Cc3ccc4c(n3)CCC4)ccc2C)=CC1C
InChIInChI=1S/C29H37N5O/c1-6-34(5)18-28-20(3)14-25(17-30-28)31-21(4)26-15-23(12-10-19(26)2)33-29(35)16-24-13-11-22-8-7-9-27(22)32-24/h10-15,17-18,20-21,31H,6-9,16H2,1-5H3,(H,33,35)/b28-18+/t20?,21-/m0/s1
InChIKeyGVIJEMAHARDWKT-SDGCBMODSA-N
XLogP5.11
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide (CID 155749763) is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide is CCN(C)/C=C1/N=CC(N[C@@H](C)c2cc(NC(=O)Cc3ccc4c(n3)CCC4)ccc2C)=CC1C.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide?
The InChIKey is GVIJEMAHARDWKT-SDGCBMODSA-N. The full InChI is InChI=1S/C29H37N5O/c1-6-34(5)18-28-20(3)14-25(17-30-28)31-21(4)26-15-23(12-10-19(26)2)33-29(35)16-24-13-11-22-8-7-9-27(22)32-24/h10-15,17-18,20-21,31H,6-9,16H2,1-5H3,(H,33,35)/b28-18+/t20?,21-/m0/s1.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide?
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide has a molecular weight of 471.65 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-[3-[(1S)-1-[[(2E)-2-[[ethyl(methyl)amino]methylidene]-3-methyl-3H-pyridin-5-yl]amino]ethyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 155749763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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