N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide

C22H19N5O3 — CID 166358503

IUPACN-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide
SMILESO=C(CCNC(=O)c1n[nH]c2ccccc12)Nc1cccc(-c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C22H19N5O3/c28-19-9-8-15(13-24-19)14-4-3-5-16(12-14)25-20(29)10-11-23-22(30)21-17-6-1-2-7-18(17)26-27-21/h1-9,12-13H,10-11H2,(H,23,30)(H,24,28)(H,25,29)(H,26,27)
InChIKeyFMIHZQISQSOFJT-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.68
Rot. Bonds6

About N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide

N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide (PubChem CID 166358503) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide
PubChem CID166358503
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide
SMILESO=C(CCNC(=O)c1n[nH]c2ccccc12)Nc1cccc(-c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C22H19N5O3/c28-19-9-8-15(13-24-19)14-4-3-5-16(12-14)25-20(29)10-11-23-22(30)21-17-6-1-2-7-18(17)26-27-21/h1-9,12-13H,10-11H2,(H,23,30)(H,24,28)(H,25,29)(H,26,27)
InChIKeyFMIHZQISQSOFJT-UHFFFAOYSA-N
XLogP2.68
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
CID 99433492
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858386
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858528
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99433632
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284
4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119357288

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide (CID 166358503) is N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide is O=C(CCNC(=O)c1n[nH]c2ccccc12)Nc1cccc(-c2ccc(=O)[nH]c2)c1.
What is the InChIKey of N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide?
The InChIKey is FMIHZQISQSOFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-19-9-8-15(13-24-19)14-4-3-5-16(12-14)25-20(29)10-11-23-22(30)21-17-6-1-2-7-18(17)26-27-21/h1-9,12-13H,10-11H2,(H,23,30)(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide?
N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166358503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).