3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide

C18H18N2O2 — CID 141074225

IUPAC3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
SMILESCc1cc(-c2cccc(C(=O)CC(N)=O)c2)cc(C2CC2)n1
InChIInChI=1S/C18H18N2O2/c1-11-7-15(9-16(20-11)12-5-6-12)13-3-2-4-14(8-13)17(21)10-18(19)22/h2-4,7-9,12H,5-6,10H2,1H3,(H2,19,22)
InChIKeyODEFZQRODXNIBK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.99
Rot. Bonds5

About 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide

3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide (PubChem CID 141074225) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
PubChem CID141074225
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
SMILESCc1cc(-c2cccc(C(=O)CC(N)=O)c2)cc(C2CC2)n1
InChIInChI=1S/C18H18N2O2/c1-11-7-15(9-16(20-11)12-5-6-12)13-3-2-4-14(8-13)17(21)10-18(19)22/h2-4,7-9,12H,5-6,10H2,1H3,(H2,19,22)
InChIKeyODEFZQRODXNIBK-UHFFFAOYSA-N
XLogP2.99
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
CID 141074255
3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile
CID 22317642
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
CID 141074265
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
tert-butyl 3-[3-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-3-oxopropanoate
CID 69486835
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
CID 54912702
3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092279
[2-[[3-[3-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-3-oxopropanoyl]amino]-5-methyl-4-(trifluoromethyl)phenyl]carbamic acid
CID 22317497
[5-cyclopropyl-2-[[3-[3-(2-methyl-4-pyridinyl)phenyl]-3-oxopropanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid
CID 22317326
[5-(cyclopropylmethoxy)-2-[[3-[3-(6-cyclopropyl-3-pyridinyl)phenyl]-3-oxopropanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid
CID 22317475
(2-cyclopropyl-6-methyl-4-pyridinyl)methanamine;hydrochloride
CID 138109557

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
The IUPAC name of 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide (CID 141074225) is 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide.
What is the SMILES notation for 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
The canonical SMILES for 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide is Cc1cc(-c2cccc(C(=O)CC(N)=O)c2)cc(C2CC2)n1.
What is the InChIKey of 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
The InChIKey is ODEFZQRODXNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-7-15(9-16(20-11)12-5-6-12)13-3-2-4-14(8-13)17(21)10-18(19)22/h2-4,7-9,12H,5-6,10H2,1H3,(H2,19,22).
What are the key properties of 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide has a molecular weight of 294.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide is sourced from PubChem (CID 141074225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).