N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride

C18H22Cl3N3O2 — CID 119574119

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C1CC1.Cl.Cl
InChIInChI=1S/C18H20ClN3O2.2ClH/c1-18(11-20,13-3-4-13)22-17(23)12-2-5-16(15(19)10-12)24-14-6-8-21-9-7-14;;/h2,5-10,13H,3-4,11,20H2,1H3,(H,22,23);2*1H
InChIKeyVAHBUIULIGEDNF-UHFFFAOYSA-N
MW418.75 g/mol
LogP4.23
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride (PubChem CID 119574119) has the molecular formula C18H22Cl3N3O2 and a molecular weight of 418.75 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride
PubChem CID119574119
Molecular FormulaC18H22Cl3N3O2
Molecular Weight418.75 g/mol
Exact Mass417.08
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C1CC1.Cl.Cl
InChIInChI=1S/C18H20ClN3O2.2ClH/c1-18(11-20,13-3-4-13)22-17(23)12-2-5-16(15(19)10-12)24-14-6-8-21-9-7-14;;/h2,5-10,13H,3-4,11,20H2,1H3,(H,22,23);2*1H
InChIKeyVAHBUIULIGEDNF-UHFFFAOYSA-N
XLogP4.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.75
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide
CID 119602940
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119574562
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride (CID 119574119) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride is CC(CN)(NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride?
The InChIKey is VAHBUIULIGEDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2.2ClH/c1-18(11-20,13-3-4-13)22-17(23)12-2-5-16(15(19)10-12)24-14-6-8-21-9-7-14;;/h2,5-10,13H,3-4,11,20H2,1H3,(H,22,23);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride has a molecular weight of 418.75 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 119574119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).