N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C21H22N4O — CID 91503354

IUPACN-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESC=C(C)CNCc1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O/c1-16(2)14-22-15-17-6-5-13-24-21(17)26-19-10-8-18(9-11-19)25-20-7-3-4-12-23-20/h3-13,22H,1,14-15H2,2H3,(H,23,25)
InChIKeyCJJHYMISZJTTSB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.68
Rot. Bonds8

About N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine

N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 91503354) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID91503354
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESC=C(C)CNCc1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O/c1-16(2)14-22-15-17-6-5-13-24-21(17)26-19-10-8-18(9-11-19)25-20-7-3-4-12-23-20/h3-13,22H,1,14-15H2,2H3,(H,23,25)
InChIKeyCJJHYMISZJTTSB-UHFFFAOYSA-N
XLogP4.68
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]but-3-yn-2-ol
CID 67425972
N-methyl-N-prop-2-enyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374190
N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374131
N-(2-hydroxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374271
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
3-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 59374283
1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59373992
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
CID 67569571
N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 107668187

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 91503354) is N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine is C=C(C)CNCc1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is CJJHYMISZJTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16(2)14-22-15-17-6-5-13-24-21(17)26-19-10-8-18(9-11-19)25-20-7-3-4-12-23-20/h3-13,22H,1,14-15H2,2H3,(H,23,25).
What are the key properties of N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 91503354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).