3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide

C16H18ClN3O2 — CID 120503351

IUPAC3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H18ClN3O2/c1-10(11(2)18)16(21)20-13-4-6-14(7-5-13)22-15-8-3-12(17)9-19-15/h3-11H,18H2,1-2H3,(H,20,21)
InChIKeySCXSUCAHTXAHPT-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.45
Rot. Bonds5

About 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide

3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide (PubChem CID 120503351) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
PubChem CID120503351
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H18ClN3O2/c1-10(11(2)18)16(21)20-13-4-6-14(7-5-13)22-15-8-3-12(17)9-19-15/h3-11H,18H2,1-2H3,(H,20,21)
InChIKeySCXSUCAHTXAHPT-UHFFFAOYSA-N
XLogP3.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71994233
1-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]cyclopentane-1-carboxamide
CID 119864117
ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate
CID 141431371
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232
2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide
CID 71925015
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504370
5-chloro-2-(4-propan-2-ylphenoxy)pyridine
CID 66234556
6-amino-5-chloro-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 166216580

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide (CID 120503351) is 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide is CC(N)C(C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1.
What is the InChIKey of 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide?
The InChIKey is SCXSUCAHTXAHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10(11(2)18)16(21)20-13-4-6-14(7-5-13)22-15-8-3-12(17)9-19-15/h3-11H,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide?
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide has a molecular weight of 319.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide is sourced from PubChem (CID 120503351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).