N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide

C18H19N5O3 — CID 99336157

IUPACN-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
SMILESCOc1cccc(NC(=O)NCCNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N5O3/c1-26-13-6-4-5-12(11-13)21-18(25)20-10-9-19-17(24)16-14-7-2-3-8-15(14)22-23-16/h2-8,11H,9-10H2,1H3,(H,19,24)(H,22,23)(H2,20,21,25)
InChIKeySDJHIZJRXPVTCG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.12
Rot. Bonds6

About N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide

N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 99336157) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
PubChem CID99336157
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
SMILESCOc1cccc(NC(=O)NCCNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N5O3/c1-26-13-6-4-5-12(11-13)21-18(25)20-10-9-19-17(24)16-14-7-2-3-8-15(14)22-23-16/h2-8,11H,9-10H2,1H3,(H,19,24)(H,22,23)(H2,20,21,25)
InChIKeySDJHIZJRXPVTCG-UHFFFAOYSA-N
XLogP2.12
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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6-methoxy-N-propyl-1H-indazole-3-carboxamide
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[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide (CID 99336157) is N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide is COc1cccc(NC(=O)NCCNC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is SDJHIZJRXPVTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-13-6-4-5-12(11-13)21-18(25)20-10-9-19-17(24)16-14-7-2-3-8-15(14)22-23-16/h2-8,11H,9-10H2,1H3,(H,19,24)(H,22,23)(H2,20,21,25).
What are the key properties of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide?
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99336157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).