N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C21H26N6O3 — CID 43071074

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)n1
InChIInChI=1S/C21H26N6O3/c1-14-12-15(2)27(25-14)17-7-6-16(13-22-17)23-18(28)8-11-26-19(29)21(24-20(26)30)9-4-3-5-10-21/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,23,28)(H,24,30)
InChIKeyKZNPKGNHUYGEQC-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.47
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 43071074) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID43071074
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)n1
InChIInChI=1S/C21H26N6O3/c1-14-12-15(2)27(25-14)17-7-6-16(13-22-17)23-18(28)8-11-26-19(29)21(24-20(26)30)9-4-3-5-10-21/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,23,28)(H,24,30)
InChIKeyKZNPKGNHUYGEQC-UHFFFAOYSA-N
XLogP2.47
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 43071074) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is Cc1cc(C)n(-c2ccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is KZNPKGNHUYGEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-12-15(2)27(25-14)17-7-6-16(13-22-17)23-18(28)8-11-26-19(29)21(24-20(26)30)9-4-3-5-10-21/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,23,28)(H,24,30).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 410.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 43071074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).