2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine

C21H17N5O — CID 70875223

IUPAC2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1
InChIInChI=1S/C21H17N5O/c22-16-9-13-24-20(14-16)26-17-3-5-18(6-4-17)27-21-19(2-1-10-25-21)15-7-11-23-12-8-15/h1-14H,(H3,22,24,26)
InChIKeyXUJDLZXPXNHQBV-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.66
Rot. Bonds5

About 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine

2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine (PubChem CID 70875223) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine
PubChem CID70875223
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1
InChIInChI=1S/C21H17N5O/c22-16-9-13-24-20(14-16)26-17-3-5-18(6-4-17)27-21-19(2-1-10-25-21)15-7-11-23-12-8-15/h1-14H,(H3,22,24,26)
InChIKeyXUJDLZXPXNHQBV-UHFFFAOYSA-N
XLogP4.66
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
CID 46830612
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374061
N-[4-[[3-(3-methylsulfanylphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 59374245
N-[4-[[3-(4-aminophenyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
CID 89070047
N-[4-(3-aminophenoxy)phenyl]pyridin-2-amine
CID 173139958
2-N-[4-[4-[(2-amino-4-pyridinyl)amino]phenyl]phenyl]pyridine-2,4-diamine
CID 163459724
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]quinoline-7-carbonitrile
CID 67425705
N-[4-[[3-(1H-pyrazol-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 68604886
N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-3-ylphthalazin-1-amine
CID 66731857
3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid
CID 66731501

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine (CID 70875223) is 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine is Nc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1.
What is the InChIKey of 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine?
The InChIKey is XUJDLZXPXNHQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-16-9-13-24-20(14-16)26-17-3-5-18(6-4-17)27-21-19(2-1-10-25-21)15-7-11-23-12-8-15/h1-14H,(H3,22,24,26).
What are the key properties of 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine?
2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine has a molecular weight of 355.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 70875223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).