N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C20H17N5O2 — CID 59374288

IUPACN-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCN(CC#N)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H17N5O2/c1-25(14-11-21)20(26)17-5-4-13-23-19(17)27-16-9-7-15(8-10-16)24-18-6-2-3-12-22-18/h2-10,12-13H,14H2,1H3,(H,22,24)
InChIKeyAZLPQNJEFNMDDY-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.61
Rot. Bonds6

About N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374288) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374288
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCN(CC#N)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H17N5O2/c1-25(14-11-21)20(26)17-5-4-13-23-19(17)27-16-9-7-15(8-10-16)24-18-6-2-3-12-22-18/h2-10,12-13H,14H2,1H3,(H,22,24)
InChIKeyAZLPQNJEFNMDDY-UHFFFAOYSA-N
XLogP3.61
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374288) is N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CN(CC#N)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is AZLPQNJEFNMDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25(14-11-21)20(26)17-5-4-13-23-19(17)27-16-9-7-15(8-10-16)24-18-6-2-3-12-22-18/h2-10,12-13H,14H2,1H3,(H,22,24).
What are the key properties of N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).