3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide

C19H21N5O3 — CID 140608395

IUPAC3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3ccccc23)cc1C(=O)NCCCN
InChIInChI=1S/C19H21N5O3/c1-27-16-8-7-12(11-14(16)19(26)21-10-4-9-20)18(25)22-17-13-5-2-3-6-15(13)23-24-17/h2-3,5-8,11H,4,9-10,20H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyMYFFBVVPXGVTPU-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.90
Rot. Bonds7

About 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide

3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 140608395) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID140608395
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3ccccc23)cc1C(=O)NCCCN
InChIInChI=1S/C19H21N5O3/c1-27-16-8-7-12(11-14(16)19(26)21-10-4-9-20)18(25)22-17-13-5-2-3-6-15(13)23-24-17/h2-3,5-8,11H,4,9-10,20H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyMYFFBVVPXGVTPU-UHFFFAOYSA-N
XLogP1.90
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
CID 140608368
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
CID 66728085
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(3-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727961
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide (CID 140608395) is 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2n[nH]c3ccccc23)cc1C(=O)NCCCN.
What is the InChIKey of 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is MYFFBVVPXGVTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-16-8-7-12(11-14(16)19(26)21-10-4-9-20)18(25)22-17-13-5-2-3-6-15(13)23-24-17/h2-3,5-8,11H,4,9-10,20H2,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide?
3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 140608395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).