N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine

C14H12N2O2 — CID 141070937

IUPACN-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine
SMILESC1=COC(c2cccc(Nc3cccnc3)c2)O1
InChIInChI=1S/C14H12N2O2/c1-3-11(14-17-7-8-18-14)9-12(4-1)16-13-5-2-6-15-10-13/h1-10,14,16H
InChIKeyIDDVFASBKPKUDM-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.34
Rot. Bonds3

About N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine

N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine (PubChem CID 141070937) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine
PubChem CID141070937
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine
SMILESC1=COC(c2cccc(Nc3cccnc3)c2)O1
InChIInChI=1S/C14H12N2O2/c1-3-11(14-17-7-8-18-14)9-12(4-1)16-13-5-2-6-15-10-13/h1-10,14,16H
InChIKeyIDDVFASBKPKUDM-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine
CID 21071445
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
N-[3-(2,2-dipyridin-3-ylethyl)phenyl]pyridin-3-amine
CID 16662604
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one
CID 91393664
3-(3-phenylphenyl)-5-(pyridin-3-ylamino)phenol
CID 68841722
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
N-pyridin-3-ylquinazolin-7-amine
CID 151317593
N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
CID 166062269
N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine
CID 90753067

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine?
The IUPAC name of N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine (CID 141070937) is N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine?
The canonical SMILES for N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine is C1=COC(c2cccc(Nc3cccnc3)c2)O1.
What is the InChIKey of N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine?
The InChIKey is IDDVFASBKPKUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-11(14-17-7-8-18-14)9-12(4-1)16-13-5-2-6-15-10-13/h1-10,14,16H.
What are the key properties of N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine?
N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine has a molecular weight of 240.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 141070937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).