N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide

C16H16N4O3 — CID 78869375

IUPACN-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCNC(=O)c3ccco3)c2c1
InChIInChI=1S/C16H16N4O3/c1-10-4-5-12-11(9-10)14(20-19-12)16(22)18-7-6-17-15(21)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyKPTJTGQNCNRXCU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78869375) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78869375
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCNC(=O)c3ccco3)c2c1
InChIInChI=1S/C16H16N4O3/c1-10-4-5-12-11(9-10)14(20-19-12)16(22)18-7-6-17-15(21)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyKPTJTGQNCNRXCU-UHFFFAOYSA-N
XLogP1.62
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1H-indazole-3-carboxamide
CID 78868846
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
CID 78858986
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
5-methyl-N-[2-(2-nitroanilino)ethyl]-1H-indazole-3-carboxamide
CID 78868152
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 56721663
5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
CID 56722867
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide (CID 78869375) is N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCCNC(=O)c3ccco3)c2c1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is KPTJTGQNCNRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-4-5-12-11(9-10)14(20-19-12)16(22)18-7-6-17-15(21)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78869375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).