2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide

C17H21N3O2 — CID 119886968

IUPAC2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(Oc2ccncc2)c1
InChIInChI=1S/C17H21N3O2/c1-3-12(2)16(18)17(21)20-13-5-4-6-15(11-13)22-14-7-9-19-10-8-14/h4-12,16H,3,18H2,1-2H3,(H,20,21)
InChIKeyAQMBWKSRGFBEBE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.19
Rot. Bonds6

About 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide

2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide (PubChem CID 119886968) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
PubChem CID119886968
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(Oc2ccncc2)c1
InChIInChI=1S/C17H21N3O2/c1-3-12(2)16(18)17(21)20-13-5-4-6-15(11-13)22-14-7-9-19-10-8-14/h4-12,16H,3,18H2,1-2H3,(H,20,21)
InChIKeyAQMBWKSRGFBEBE-UHFFFAOYSA-N
XLogP3.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060
2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
CID 119763991
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide (CID 119886968) is 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide is CCC(C)C(N)C(=O)Nc1cccc(Oc2ccncc2)c1.
What is the InChIKey of 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide?
The InChIKey is AQMBWKSRGFBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-12(2)16(18)17(21)20-13-5-4-6-15(11-13)22-14-7-9-19-10-8-14/h4-12,16H,3,18H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide?
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide has a molecular weight of 299.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide is sourced from PubChem (CID 119886968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).