2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid

C20H17N5O4 — CID 171330404

IUPAC2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid
SMILESN#Cc1c(-c2cccc(OCC(N)=O)c2)cc(-c2ccncc2)nc1N.O=CO
InChIInChI=1S/C19H15N5O2.CH2O2/c20-10-16-15(13-2-1-3-14(8-13)26-11-18(21)25)9-17(24-19(16)22)12-4-6-23-7-5-12;2-1-3/h1-9H,11H2,(H2,21,25)(H2,22,24);1H,(H,2,3)
InChIKeyFZSBBCAOJZFCGJ-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.83
Rot. Bonds5

About 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid

2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid (PubChem CID 171330404) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid.

Molecular Properties

Compound Name2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid
PubChem CID171330404
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid
SMILESN#Cc1c(-c2cccc(OCC(N)=O)c2)cc(-c2ccncc2)nc1N.O=CO
InChIInChI=1S/C19H15N5O2.CH2O2/c20-10-16-15(13-2-1-3-14(8-13)26-11-18(21)25)9-17(24-19(16)22)12-4-6-23-7-5-12;2-1-3/h1-9H,11H2,(H2,21,25)(H2,22,24);1H,(H,2,3)
InChIKeyFZSBBCAOJZFCGJ-UHFFFAOYSA-N
XLogP1.83
TPSA165.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636492
2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5153880
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(4-fluorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636653
2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
CID 56752612
2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
CID 95402496
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid?
The IUPAC name of 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid (CID 171330404) is 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid.
What is the SMILES notation for 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid?
The canonical SMILES for 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid is N#Cc1c(-c2cccc(OCC(N)=O)c2)cc(-c2ccncc2)nc1N.O=CO.
What is the InChIKey of 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid?
The InChIKey is FZSBBCAOJZFCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2.CH2O2/c20-10-16-15(13-2-1-3-14(8-13)26-11-18(21)25)9-17(24-19(16)22)12-4-6-23-7-5-12;2-1-3/h1-9H,11H2,(H2,21,25)(H2,22,24);1H,(H,2,3).
What are the key properties of 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid?
2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid has a molecular weight of 391.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid is sourced from PubChem (CID 171330404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).