N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C18H17N5O3 — CID 170858589

IUPACN-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H17N5O3/c1-10(17(25)21-12-8-6-11(7-9-12)16(19)24)20-18(26)15-13-4-2-3-5-14(13)22-23-15/h2-10H,1H3,(H2,19,24)(H,20,26)(H,21,25)(H,22,23)
InChIKeyMWBSPQLJZUNRGV-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.42
Rot. Bonds5

About N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 170858589) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID170858589
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H17N5O3/c1-10(17(25)21-12-8-6-11(7-9-12)16(19)24)20-18(26)15-13-4-2-3-5-14(13)22-23-15/h2-10H,1H3,(H2,19,24)(H,20,26)(H,21,25)(H,22,23)
InChIKeyMWBSPQLJZUNRGV-UHFFFAOYSA-N
XLogP1.42
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887339
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858626
N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302
N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 154794888
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630767
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 170858589) is N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is MWBSPQLJZUNRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10(17(25)21-12-8-6-11(7-9-12)16(19)24)20-18(26)15-13-4-2-3-5-14(13)22-23-15/h2-10H,1H3,(H2,19,24)(H,20,26)(H,21,25)(H,22,23).
What are the key properties of N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).