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

C18H21N3O2 — CID 119572563

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
SMILESCC(CN)(NC(=O)c1cccc(Oc2ccncc2)c1)C1CC1
InChIInChI=1S/C18H21N3O2/c1-18(12-19,14-5-6-14)21-17(22)13-3-2-4-16(11-13)23-15-7-9-20-10-8-15/h2-4,7-11,14H,5-6,12,19H2,1H3,(H,21,22)
InChIKeyWLSDQOXWSKWMAE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.73
Rot. Bonds6

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

N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide (PubChem CID 119572563) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
PubChem CID119572563
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
SMILESCC(CN)(NC(=O)c1cccc(Oc2ccncc2)c1)C1CC1
InChIInChI=1S/C18H21N3O2/c1-18(12-19,14-5-6-14)21-17(22)13-3-2-4-16(11-13)23-15-7-9-20-10-8-15/h2-4,7-11,14H,5-6,12,19H2,1H3,(H,21,22)
InChIKeyWLSDQOXWSKWMAE-UHFFFAOYSA-N
XLogP2.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride
CID 119574119
N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
CID 81487028
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
CID 113283477
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
CID 119575218
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(dimethylcarbamoylamino)benzamide
CID 119574828
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119574786
N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 86813863
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119576009
N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 115307724

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide (CID 119572563) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide is CC(CN)(NC(=O)c1cccc(Oc2ccncc2)c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide?
The InChIKey is WLSDQOXWSKWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(12-19,14-5-6-14)21-17(22)13-3-2-4-16(11-13)23-15-7-9-20-10-8-15/h2-4,7-11,14H,5-6,12,19H2,1H3,(H,21,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.73, 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-pyridin-4-yloxybenzamide is sourced from PubChem (CID 119572563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).