(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

C16H18N2O2 — CID 116581347

IUPAC(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1ccc(N)c(C(=O)c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C16H18N2O2/c1-10(2)20-13-7-12(8-18-9-13)16(19)14-6-11(3)4-5-15(14)17/h4-10H,17H2,1-3H3
InChIKeySQZBCGKVGAZWCE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds4

About (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 116581347) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID116581347
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1ccc(N)c(C(=O)c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C16H18N2O2/c1-10(2)20-13-7-12(8-18-9-13)16(19)14-6-11(3)4-5-15(14)17/h4-10H,17H2,1-3H3
InChIKeySQZBCGKVGAZWCE-UHFFFAOYSA-N
XLogP2.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 116581347) is (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is Cc1ccc(N)c(C(=O)c2cncc(OC(C)C)c2)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is SQZBCGKVGAZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10(2)20-13-7-12(8-18-9-13)16(19)14-6-11(3)4-5-15(14)17/h4-10H,17H2,1-3H3.
What are the key properties of (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 270.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 116581347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).