N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C19H20N4O2 — CID 170858477

IUPACN-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N4O2/c1-11-8-12(2)10-14(9-11)21-18(24)13(3)20-19(25)17-15-6-4-5-7-16(15)22-23-17/h4-10,13H,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyHOLBPTPNRIHRFO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.94
Rot. Bonds4

About N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 170858477) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID170858477
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N4O2/c1-11-8-12(2)10-14(9-11)21-18(24)13(3)20-19(25)17-15-6-4-5-7-16(15)22-23-17/h4-10,13H,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyHOLBPTPNRIHRFO-UHFFFAOYSA-N
XLogP2.94
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858626
N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887339
N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 154794888
N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887344
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 170858477) is N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is Cc1cc(C)cc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is HOLBPTPNRIHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-8-12(2)10-14(9-11)21-18(24)13(3)20-19(25)17-15-6-4-5-7-16(15)22-23-17/h4-10,13H,1-3H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).