N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide

C20H23N3O2 — CID 171631464

IUPACN-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N3O2/c1-14(19(25)23-10-8-20(6-7-20)9-11-23)22-18(24)17-12-15-4-2-3-5-16(15)13-21-17/h2-5,12-14H,6-11H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyOWVADTCUEHNTPY-AWEZNQCLSA-N
MW337.42 g/mol
LogP2.76
Rot. Bonds3

About N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide (PubChem CID 171631464) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
PubChem CID171631464
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N3O2/c1-14(19(25)23-10-8-20(6-7-20)9-11-23)22-18(24)17-12-15-4-2-3-5-16(15)13-21-17/h2-5,12-14H,6-11H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyOWVADTCUEHNTPY-AWEZNQCLSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide (CID 171631464) is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide is C[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide?
The InChIKey is OWVADTCUEHNTPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(19(25)23-10-8-20(6-7-20)9-11-23)22-18(24)17-12-15-4-2-3-5-16(15)13-21-17/h2-5,12-14H,6-11H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide?
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide is sourced from PubChem (CID 171631464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).