(4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

C24H29N3O2 — CID 96557960

IUPAC(4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)n1
InChIInChI=1S/C24H29N3O2/c1-16(2)15-27-23(29)19-11-5-4-10-18(19)21(24(27)13-6-7-14-24)22(28)26-20-12-8-9-17(3)25-20/h4-5,8-12,16,21H,6-7,13-15H2,1-3H3,(H,25,26,28)/t21-/m0/s1
InChIKeyKEHVRACCIKRFSP-NRFANRHFSA-N
MW391.52 g/mol
LogP4.54
Rot. Bonds4

About (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

(4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (PubChem CID 96557960) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
PubChem CID96557960
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)n1
InChIInChI=1S/C24H29N3O2/c1-16(2)15-27-23(29)19-11-5-4-10-18(19)21(24(27)13-6-7-14-24)22(28)26-20-12-8-9-17(3)25-20/h4-5,8-12,16,21H,6-7,13-15H2,1-3H3,(H,25,26,28)/t21-/m0/s1
InChIKeyKEHVRACCIKRFSP-NRFANRHFSA-N
XLogP4.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The IUPAC name of (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (CID 96557960) is (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.
What is the SMILES notation for (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The canonical SMILES for (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)n1.
What is the InChIKey of (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The InChIKey is KEHVRACCIKRFSP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)15-27-23(29)19-11-5-4-10-18(19)21(24(27)13-6-7-14-24)22(28)26-20-12-8-9-17(3)25-20/h4-5,8-12,16,21H,6-7,13-15H2,1-3H3,(H,25,26,28)/t21-/m0/s1.
What are the key properties of (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
(4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-methylpropyl)-N-(6-methyl-2-pyridinyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is sourced from PubChem (CID 96557960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).