(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone

C19H20ClNO2 — CID 58452587

IUPAC(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(C(C)C)c(Cl)c2)ccc1C1CC1
InChIInChI=1S/C19H20ClNO2/c1-11(2)14-7-6-13(10-16(14)20)18(22)17-9-8-15(12-4-5-12)19(21-17)23-3/h6-12H,4-5H2,1-3H3
InChIKeyLTWVMANEIFFJEN-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.98
Rot. Bonds5

About (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone

(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (PubChem CID 58452587) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
PubChem CID58452587
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(C(C)C)c(Cl)c2)ccc1C1CC1
InChIInChI=1S/C19H20ClNO2/c1-11(2)14-7-6-13(10-16(14)20)18(22)17-9-8-15(12-4-5-12)19(21-17)23-3/h6-12H,4-5H2,1-3H3
InChIKeyLTWVMANEIFFJEN-UHFFFAOYSA-N
XLogP4.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The IUPAC name of (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (CID 58452587) is (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is COc1nc(C(=O)c2ccc(C(C)C)c(Cl)c2)ccc1C1CC1.
What is the InChIKey of (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The InChIKey is LTWVMANEIFFJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-11(2)14-7-6-13(10-16(14)20)18(22)17-9-8-15(12-4-5-12)19(21-17)23-3/h6-12H,4-5H2,1-3H3.
What are the key properties of (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone has a molecular weight of 329.83 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 58452587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).