3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide

C18H20N6O3 — CID 140608368

IUPAC3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cc3ncccn3n2)cc1C(=O)NCCCN
InChIInChI=1S/C18H20N6O3/c1-27-14-5-4-12(10-13(14)18(26)21-7-2-6-19)17(25)22-15-11-16-20-8-3-9-24(16)23-15/h3-5,8-11H,2,6-7,19H2,1H3,(H,21,26)(H,22,23,25)
InChIKeySEEFZLGYOCCMCV-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.07
Rot. Bonds7

About 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide

3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide (PubChem CID 140608368) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
PubChem CID140608368
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cc3ncccn3n2)cc1C(=O)NCCCN
InChIInChI=1S/C18H20N6O3/c1-27-14-5-4-12(10-13(14)18(26)21-7-2-6-19)17(25)22-15-11-16-20-8-3-9-24(16)23-15/h3-5,8-11H,2,6-7,19H2,1H3,(H,21,26)(H,22,23,25)
InChIKeySEEFZLGYOCCMCV-UHFFFAOYSA-N
XLogP1.07
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide
CID 140608395
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
CID 87134001
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide
CID 140608387
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
CID 66727957
5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide
CID 131703162
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide (CID 140608368) is 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2cc3ncccn3n2)cc1C(=O)NCCCN.
What is the InChIKey of 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is SEEFZLGYOCCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-27-14-5-4-12(10-13(14)18(26)21-7-2-6-19)17(25)22-15-11-16-20-8-3-9-24(16)23-15/h3-5,8-11H,2,6-7,19H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide?
3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 140608368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).