N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide

C20H31N5O3S — CID 154805268

IUPACN-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(C)C1N(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC12CCC2
InChIInChI=1S/C20H31N5O3S/c1-15(2)18-20(7-4-8-20)14-25(18)19(26)22-16-5-6-17(21-13-16)23-9-11-24(12-10-23)29(3,27)28/h5-6,13,15,18H,4,7-12,14H2,1-3H3,(H,22,26)
InChIKeyQOXLVSOSLGWPKC-UHFFFAOYSA-N
MW421.57 g/mol
LogP2.21
Rot. Bonds4

About N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide

N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 154805268) has the molecular formula C20H31N5O3S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID154805268
Molecular FormulaC20H31N5O3S
Molecular Weight421.57 g/mol
Exact Mass421.21
IUPAC NameN-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(C)C1N(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC12CCC2
InChIInChI=1S/C20H31N5O3S/c1-15(2)18-20(7-4-8-20)14-25(18)19(26)22-16-5-6-17(21-13-16)23-9-11-24(12-10-23)29(3,27)28/h5-6,13,15,18H,4,7-12,14H2,1-3H3,(H,22,26)
InChIKeyQOXLVSOSLGWPKC-UHFFFAOYSA-N
XLogP2.21
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
CID 113014511
N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167928325
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide
CID 11638768
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42857295
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139547744
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide (CID 154805268) is N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide is CC(C)C1N(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC12CCC2.
What is the InChIKey of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is QOXLVSOSLGWPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3S/c1-15(2)18-20(7-4-8-20)14-25(18)19(26)22-16-5-6-17(21-13-16)23-9-11-24(12-10-23)29(3,27)28/h5-6,13,15,18H,4,7-12,14H2,1-3H3,(H,22,26).
What are the key properties of N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 154805268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).