N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride

C17H21Cl2N3O2 — CID 86813863

IUPACN-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1cccc(Oc2ccncc2)c1)C1CC1
InChIInChI=1S/C17H19N3O2.2ClH/c18-11-16(12-4-5-12)20-17(21)13-2-1-3-15(10-13)22-14-6-8-19-9-7-14;;/h1-3,6-10,12,16H,4-5,11,18H2,(H,20,21);2*1H
InChIKeyJBHVFIHWFNPZBP-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.18
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride (PubChem CID 86813863) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
PubChem CID86813863
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1cccc(Oc2ccncc2)c1)C1CC1
InChIInChI=1S/C17H19N3O2.2ClH/c18-11-16(12-4-5-12)20-17(21)13-2-1-3-15(10-13)22-14-6-8-19-9-7-14;;/h1-3,6-10,12,16H,4-5,11,18H2,(H,20,21);2*1H
InChIKeyJBHVFIHWFNPZBP-UHFFFAOYSA-N
XLogP3.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride (CID 86813863) is N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1cccc(Oc2ccncc2)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride?
The InChIKey is JBHVFIHWFNPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.2ClH/c18-11-16(12-4-5-12)20-17(21)13-2-1-3-15(10-13)22-14-6-8-19-9-7-14;;/h1-3,6-10,12,16H,4-5,11,18H2,(H,20,21);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 86813863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).