N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide

C18H23N3O2 — CID 119640034

IUPACN-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C18H23N3O2/c1-3-18(19,4-2)13-21-17(22)14-6-5-7-16(12-14)23-15-8-10-20-11-9-15/h5-12H,3-4,13,19H2,1-2H3,(H,21,22)
InChIKeyBNPDBFGIEDPTTC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.12
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide

N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide (PubChem CID 119640034) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
PubChem CID119640034
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C18H23N3O2/c1-3-18(19,4-2)13-21-17(22)14-6-5-7-16(12-14)23-15-8-10-20-11-9-15/h5-12H,3-4,13,19H2,1-2H3,(H,21,22)
InChIKeyBNPDBFGIEDPTTC-UHFFFAOYSA-N
XLogP3.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119429876
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
CID 119640724
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119565137
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563
N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
CID 167964840
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide (CID 119640034) is N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide is CCC(N)(CC)CNC(=O)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide?
The InChIKey is BNPDBFGIEDPTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-18(19,4-2)13-21-17(22)14-6-5-7-16(12-14)23-15-8-10-20-11-9-15/h5-12H,3-4,13,19H2,1-2H3,(H,21,22).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide?
N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide is sourced from PubChem (CID 119640034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).