4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide

C17H21N3O3 — CID 16665897

IUPAC4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1OCCCO
InChIInChI=1S/C17H21N3O3/c1-12(18)15-4-3-13(11-16(15)23-10-2-9-21)17(22)20-14-5-7-19-8-6-14/h3-8,11-12,21H,2,9-10,18H2,1H3,(H,19,20,22)
InChIKeyVZNODWXQSJWOPD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.11
Rot. Bonds7

About 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide

4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide (PubChem CID 16665897) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide
PubChem CID16665897
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1OCCCO
InChIInChI=1S/C17H21N3O3/c1-12(18)15-4-3-13(11-16(15)23-10-2-9-21)17(22)20-14-5-7-19-8-6-14/h3-8,11-12,21H,2,9-10,18H2,1H3,(H,19,20,22)
InChIKeyVZNODWXQSJWOPD-UHFFFAOYSA-N
XLogP2.11
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminoethyl)-3-(3-aminopropoxy)-N-pyridin-4-ylbenzamide;trihydrochloride
CID 69076885
4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide
CID 16665899
4-(1-aminoethyl)-3-nitro-N-pyridin-4-ylbenzamide;dihydrochloride
CID 69077276
4-(1-aminoethyl)-3-(phenylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 16665979
4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
CID 16666141
4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide
CID 16665980
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
4-(1-aminoethyl)-3-(phenylcarbamothioylamino)-N-pyridin-4-ylbenzamide
CID 16665978
2-phenylethyl 3-[2-(1-aminoethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115628
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide (CID 16665897) is 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide is CC(N)c1ccc(C(=O)Nc2ccncc2)cc1OCCCO.
What is the InChIKey of 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide?
The InChIKey is VZNODWXQSJWOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(18)15-4-3-13(11-16(15)23-10-2-9-21)17(22)20-14-5-7-19-8-6-14/h3-8,11-12,21H,2,9-10,18H2,1H3,(H,19,20,22).
What are the key properties of 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide?
4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 16665897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).