N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

C23H27N7O — CID 44589912

IUPACN-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccn[nH]2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C23H27N7O/c24-18-3-1-16(19-5-9-27-29-19)13-20(18)28-22(31)17-2-4-21(26-14-17)30-11-7-23(8-12-30)6-10-25-15-23/h1-5,9,13-14,25H,6-8,10-12,15,24H2,(H,27,29)(H,28,31)
InChIKeyQTGKKPFIZBGFGS-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.89
Rot. Bonds4

About N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44589912) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44589912
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccn[nH]2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C23H27N7O/c24-18-3-1-16(19-5-9-27-29-19)13-20(18)28-22(31)17-2-4-21(26-14-17)30-11-7-23(8-12-30)6-10-25-15-23/h1-5,9,13-14,25H,6-8,10-12,15,24H2,(H,27,29)(H,28,31)
InChIKeyQTGKKPFIZBGFGS-UHFFFAOYSA-N
XLogP2.89
TPSA111.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44589912) is N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2ccn[nH]2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1.
What is the InChIKey of N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is QTGKKPFIZBGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c24-18-3-1-16(19-5-9-27-29-19)13-20(18)28-22(31)17-2-4-21(26-14-17)30-11-7-23(8-12-30)6-10-25-15-23/h1-5,9,13-14,25H,6-8,10-12,15,24H2,(H,27,29)(H,28,31).
What are the key properties of N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 2.89, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(1H-pyrazol-5-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44589912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).