N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide

C18H17N3O2 — CID 133396857

IUPACN-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide
SMILESCc1cc(Oc2ccc(NC(=O)C3CC3)cc2)c(C#N)c(C)n1
InChIInChI=1S/C18H17N3O2/c1-11-9-17(16(10-19)12(2)20-11)23-15-7-5-14(6-8-15)21-18(22)13-3-4-13/h5-9,13H,3-4H2,1-2H3,(H,21,22)
InChIKeyVZUZCVFCDCKKLP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.71
Rot. Bonds4

About N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide

N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide (PubChem CID 133396857) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide
PubChem CID133396857
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide
SMILESCc1cc(Oc2ccc(NC(=O)C3CC3)cc2)c(C#N)c(C)n1
InChIInChI=1S/C18H17N3O2/c1-11-9-17(16(10-19)12(2)20-11)23-15-7-5-14(6-8-15)21-18(22)13-3-4-13/h5-9,13H,3-4H2,1-2H3,(H,21,22)
InChIKeyVZUZCVFCDCKKLP-UHFFFAOYSA-N
XLogP3.71
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyanopyrazin-2-yl)oxyphenyl]cyclopropanecarboxamide
CID 133283481
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
CID 119340024
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]cyclopentanecarboxamide
CID 92601905
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide
CID 95156729

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide (CID 133396857) is N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide is Cc1cc(Oc2ccc(NC(=O)C3CC3)cc2)c(C#N)c(C)n1.
What is the InChIKey of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide?
The InChIKey is VZUZCVFCDCKKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-9-17(16(10-19)12(2)20-11)23-15-7-5-14(6-8-15)21-18(22)13-3-4-13/h5-9,13H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide?
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 133396857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).