N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide

C19H21N5O — CID 118237888

IUPACN-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]cc(CN4CCCC4)c3c2)ccn1
InChIInChI=1S/C19H21N5O/c1-13(25)23-18-9-14(4-5-20-18)15-8-17-16(11-22-19(17)21-10-15)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,21,22)(H,20,23,25)
InChIKeyNSOMIPRUYFQANJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.18
Rot. Bonds4

About N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide

N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide (PubChem CID 118237888) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
PubChem CID118237888
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]cc(CN4CCCC4)c3c2)ccn1
InChIInChI=1S/C19H21N5O/c1-13(25)23-18-9-14(4-5-20-18)15-8-17-16(11-22-19(17)21-10-15)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,21,22)(H,20,23,25)
InChIKeyNSOMIPRUYFQANJ-UHFFFAOYSA-N
XLogP3.18
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide (CID 118237888) is N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3[nH]cc(CN4CCCC4)c3c2)ccn1.
What is the InChIKey of N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The InChIKey is NSOMIPRUYFQANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(25)23-18-9-14(4-5-20-18)15-8-17-16(11-22-19(17)21-10-15)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,21,22)(H,20,23,25).
What are the key properties of N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118237888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).