3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide

C19H25N3O3 — CID 126834608

IUPAC3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide
SMILESCOCCOc1cccc(C(=O)NC(C)c2cc3n(n2)CCCC3)c1
InChIInChI=1S/C19H25N3O3/c1-14(18-13-16-7-3-4-9-22(16)21-18)20-19(23)15-6-5-8-17(12-15)25-11-10-24-2/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3,(H,20,23)
InChIKeyNBXJGLXXZGNPAF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.74
Rot. Bonds7

About 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide

3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide (PubChem CID 126834608) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide
PubChem CID126834608
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide
SMILESCOCCOc1cccc(C(=O)NC(C)c2cc3n(n2)CCCC3)c1
InChIInChI=1S/C19H25N3O3/c1-14(18-13-16-7-3-4-9-22(16)21-18)20-19(23)15-6-5-8-17(12-15)25-11-10-24-2/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3,(H,20,23)
InChIKeyNBXJGLXXZGNPAF-UHFFFAOYSA-N
XLogP2.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
5-methyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]-1,2-thiazole-3-carboxamide
CID 126834606
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
CID 120508145
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 92582820
3-(pyridin-3-ylmethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97089751
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833354
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide
CID 106184785
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide (CID 126834608) is 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide is COCCOc1cccc(C(=O)NC(C)c2cc3n(n2)CCCC3)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide?
The InChIKey is NBXJGLXXZGNPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(18-13-16-7-3-4-9-22(16)21-18)20-19(23)15-6-5-8-17(12-15)25-11-10-24-2/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide?
3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzamide is sourced from PubChem (CID 126834608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).