5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

C14H14N4O — CID 58087596

IUPAC5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCOC(c1ccc(N)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H14N4O/c1-19-13(9-4-5-12(15)17-7-9)11-8-18-14-10(11)3-2-6-16-14/h2-8,13H,1H3,(H2,15,17)(H,16,18)
InChIKeyUFPOUARTOQKBPS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.28
Rot. Bonds3

About 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (PubChem CID 58087596) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
PubChem CID58087596
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCOC(c1ccc(N)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H14N4O/c1-19-13(9-4-5-12(15)17-7-9)11-8-18-14-10(11)3-2-6-16-14/h2-8,13H,1H3,(H2,15,17)(H,16,18)
InChIKeyUFPOUARTOQKBPS-UHFFFAOYSA-N
XLogP2.28
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole
CID 150353289
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 59506807
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]prop-2-enamide
CID 66780654
3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991
N-[(4-chlorophenyl)methyl]-5-[methoxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58087853
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
N-(2-methoxyethyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 115705603
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (CID 58087596) is 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is COC(c1ccc(N)nc1)c1c[nH]c2ncccc12.
What is the InChIKey of 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The InChIKey is UFPOUARTOQKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-13(9-4-5-12(15)17-7-9)11-8-18-14-10(11)3-2-6-16-14/h2-8,13H,1H3,(H2,15,17)(H,16,18).
What are the key properties of 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 58087596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).