N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide

C18H17N3O2 — CID 75433974

IUPACN-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(OC2CCC2)c1)c1cccc(C#N)c1
InChIInChI=1S/C18H17N3O2/c1-21(15-5-2-4-13(10-15)12-19)18(22)14-8-9-20-17(11-14)23-16-6-3-7-16/h2,4-5,8-11,16H,3,6-7H2,1H3
InChIKeyAPXBMMFXLNXDFZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.16
Rot. Bonds4

About N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide

N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide (PubChem CID 75433974) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide
PubChem CID75433974
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(OC2CCC2)c1)c1cccc(C#N)c1
InChIInChI=1S/C18H17N3O2/c1-21(15-5-2-4-13(10-15)12-19)18(22)14-8-9-20-17(11-14)23-16-6-3-7-16/h2,4-5,8-11,16H,3,6-7H2,1H3
InChIKeyAPXBMMFXLNXDFZ-UHFFFAOYSA-N
XLogP3.16
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide (CID 75433974) is N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(OC2CCC2)c1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide?
The InChIKey is APXBMMFXLNXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(15-5-2-4-13(10-15)12-19)18(22)14-8-9-20-17(11-14)23-16-6-3-7-16/h2,4-5,8-11,16H,3,6-7H2,1H3.
What are the key properties of N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide?
N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 75433974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).