N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

C24H29N7O — CID 44589911

IUPACN-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CCNC5)CC4)nc3)c2)cn1
InChIInChI=1S/C24H29N7O/c1-30-15-19(14-28-30)17-2-4-20(25)21(12-17)29-23(32)18-3-5-22(27-13-18)31-10-7-24(8-11-31)6-9-26-16-24/h2-5,12-15,26H,6-11,16,25H2,1H3,(H,29,32)
InChIKeyXVCHNZHSYGQSJT-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.90
Rot. Bonds4

About N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44589911) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44589911
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CCNC5)CC4)nc3)c2)cn1
InChIInChI=1S/C24H29N7O/c1-30-15-19(14-28-30)17-2-4-20(25)21(12-17)29-23(32)18-3-5-22(27-13-18)31-10-7-24(8-11-31)6-9-26-16-24/h2-5,12-15,26H,6-11,16,25H2,1H3,(H,29,32)
InChIKeyXVCHNZHSYGQSJT-UHFFFAOYSA-N
XLogP2.90
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44589911) is N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Cn1cc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CCNC5)CC4)nc3)c2)cn1.
What is the InChIKey of N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is XVCHNZHSYGQSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-30-15-19(14-28-30)17-2-4-20(25)21(12-17)29-23(32)18-3-5-22(27-13-18)31-10-7-24(8-11-31)6-9-26-16-24/h2-5,12-15,26H,6-11,16,25H2,1H3,(H,29,32).
What are the key properties of N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44589911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).