4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H16N6 — CID 70773886

IUPAC4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cn1
InChIInChI=1S/C18H16N6/c19-16-5-4-12(10-22-16)15-9-17(24-18-14(15)6-8-21-18)23-11-13-3-1-2-7-20-13/h1-10H,11H2,(H2,19,22)(H2,21,23,24)
InChIKeySLMASVJQFPLMEH-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.21
Rot. Bonds4

About 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70773886) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70773886
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESNc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cn1
InChIInChI=1S/C18H16N6/c19-16-5-4-12(10-22-16)15-9-17(24-18-14(15)6-8-21-18)23-11-13-3-1-2-7-20-13/h1-10H,11H2,(H2,19,22)(H2,21,23,24)
InChIKeySLMASVJQFPLMEH-UHFFFAOYSA-N
XLogP3.21
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

N-(pyridin-2-ylmethyl)-4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899720
4-(6-amino-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56907286
N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906338
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 70719891
4-isoquinolin-4-yl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70788507
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 70728609
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798
4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56913487
4-(3,6-dimethylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70769027
4-(2,6-dimethyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70781252
4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56914657
6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyridin-2-one
CID 56882752

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70773886) is 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Nc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cn1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is SLMASVJQFPLMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c19-16-5-4-12(10-22-16)15-9-17(24-18-14(15)6-8-21-18)23-11-13-3-1-2-7-20-13/h1-10H,11H2,(H2,19,22)(H2,21,23,24).
What are the key properties of 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 316.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70773886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).