4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide

C16H19N3O2 — CID 80637430

IUPAC4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
SMILESCC(C)NCc1ccc(Oc2ccc(C(N)=O)cc2)nc1
InChIInChI=1S/C16H19N3O2/c1-11(2)18-9-12-3-8-15(19-10-12)21-14-6-4-13(5-7-14)16(17)20/h3-8,10-11,18H,9H2,1-2H3,(H2,17,20)
InChIKeyGHMZJTCGMFQMBM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.47
Rot. Bonds6

About 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide

4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide (PubChem CID 80637430) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
PubChem CID80637430
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
SMILESCC(C)NCc1ccc(Oc2ccc(C(N)=O)cc2)nc1
InChIInChI=1S/C16H19N3O2/c1-11(2)18-9-12-3-8-15(19-10-12)21-14-6-4-13(5-7-14)16(17)20/h3-8,10-11,18H,9H2,1-2H3,(H2,17,20)
InChIKeyGHMZJTCGMFQMBM-UHFFFAOYSA-N
XLogP2.47
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide
CID 115906161
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide (CID 80637430) is 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide is CC(C)NCc1ccc(Oc2ccc(C(N)=O)cc2)nc1.
What is the InChIKey of 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide?
The InChIKey is GHMZJTCGMFQMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)18-9-12-3-8-15(19-10-12)21-14-6-4-13(5-7-14)16(17)20/h3-8,10-11,18H,9H2,1-2H3,(H2,17,20).
What are the key properties of 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide?
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 80637430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).