4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide

C17H13N5O2 — CID 168541218

IUPAC4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC=C(C#N)C#N)cc2)ccn1
InChIInChI=1S/C17H13N5O2/c1-20-17(23)16-8-15(6-7-21-16)24-14-4-2-13(3-5-14)22-11-12(9-18)10-19/h2-8,11,22H,1H3,(H,20,23)
InChIKeyXMQSCRSLJUAYJY-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.58
Rot. Bonds5

About 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide

4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 168541218) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID168541218
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC=C(C#N)C#N)cc2)ccn1
InChIInChI=1S/C17H13N5O2/c1-20-17(23)16-8-15(6-7-21-16)24-14-4-2-13(3-5-14)22-11-12(9-18)10-19/h2-8,11,22H,1H3,(H,20,23)
InChIKeyXMQSCRSLJUAYJY-UHFFFAOYSA-N
XLogP2.58
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
(1Z)-2-amino-2-imino-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]ethanimidoyl cyanide
CID 172931760
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 123302198
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide (CID 168541218) is 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC=C(C#N)C#N)cc2)ccn1.
What is the InChIKey of 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is XMQSCRSLJUAYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-20-17(23)16-8-15(6-7-21-16)24-14-4-2-13(3-5-14)22-11-12(9-18)10-19/h2-8,11,22H,1H3,(H,20,23).
What are the key properties of 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168541218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).