N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C19H23N5 — CID 11999498

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCN1CCCC1CCNc1cccc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C19H23N5/c1-24-13-3-4-14(24)7-10-20-18-6-2-5-17(23-18)15-8-11-21-19-16(15)9-12-22-19/h2,5-6,8-9,11-12,14H,3-4,7,10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyNDZXTSGQUKBAEO-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 11999498) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID11999498
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCN1CCCC1CCNc1cccc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C19H23N5/c1-24-13-3-4-14(24)7-10-20-18-6-2-5-17(23-18)15-8-11-21-19-16(15)9-12-22-19/h2,5-6,8-9,11-12,14H,3-4,7,10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyNDZXTSGQUKBAEO-UHFFFAOYSA-N
XLogP3.52
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 11999498) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is CN1CCCC1CCNc1cccc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is NDZXTSGQUKBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-24-13-3-4-14(24)7-10-20-18-6-2-5-17(23-18)15-8-11-21-19-16(15)9-12-22-19/h2,5-6,8-9,11-12,14H,3-4,7,10,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 321.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 11999498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).