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

C23H25N7O3 — CID 90643783

IUPACN-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CC4)CNC(=O)O5)nc3)c2)cn1
InChIInChI=1S/C23H25N7O3/c1-29-13-17(12-27-29)15-2-4-18(24)19(10-15)28-21(31)16-3-5-20(25-11-16)30-8-6-23(7-9-30)14-26-22(32)33-23/h2-5,10-13H,6-9,14,24H2,1H3,(H,26,32)(H,28,31)
InChIKeyDGUXFCHSPASYAU-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.40
Rot. Bonds4

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

N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 90643783) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID90643783
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC NameN-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CC4)CNC(=O)O5)nc3)c2)cn1
InChIInChI=1S/C23H25N7O3/c1-29-13-17(12-27-29)15-2-4-18(24)19(10-15)28-21(31)16-3-5-20(25-11-16)30-8-6-23(7-9-30)14-26-22(32)33-23/h2-5,10-13H,6-9,14,24H2,1H3,(H,26,32)(H,28,31)
InChIKeyDGUXFCHSPASYAU-UHFFFAOYSA-N
XLogP2.40
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
[1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid
CID 66757742
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 24744160
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
CID 143469870
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 68901246
N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide
CID 58234893
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 143469916
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 139460390
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 90643783) is N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-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-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Cn1cc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CC4)CNC(=O)O5)nc3)c2)cn1.
What is the InChIKey of N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is DGUXFCHSPASYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-29-13-17(12-27-29)15-2-4-18(24)19(10-15)28-21(31)16-3-5-20(25-11-16)30-8-6-23(7-9-30)14-26-22(32)33-23/h2-5,10-13H,6-9,14,24H2,1H3,(H,26,32)(H,28,31).
What are the key properties of N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 90643783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).