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

C17H19N5O — CID 118249406

IUPACN-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]cc(CN(C)C)c3c2)ccn1
InChIInChI=1S/C17H19N5O/c1-11(23)21-16-7-12(4-5-18-16)13-6-15-14(10-22(2)3)9-20-17(15)19-8-13/h4-9H,10H2,1-3H3,(H,19,20)(H,18,21,23)
InChIKeyCWYPLBPLZOSEDL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.64
Rot. Bonds4

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

N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide (PubChem CID 118249406) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
PubChem CID118249406
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]cc(CN(C)C)c3c2)ccn1
InChIInChI=1S/C17H19N5O/c1-11(23)21-16-7-12(4-5-18-16)13-6-15-14(10-22(2)3)9-20-17(15)19-8-13/h4-9H,10H2,1-3H3,(H,19,20)(H,18,21,23)
InChIKeyCWYPLBPLZOSEDL-UHFFFAOYSA-N
XLogP2.64
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide (CID 118249406) is N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3[nH]cc(CN(C)C)c3c2)ccn1.
What is the InChIKey of N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
The InChIKey is CWYPLBPLZOSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(23)21-16-7-12(4-5-18-16)13-6-15-14(10-22(2)3)9-20-17(15)19-8-13/h4-9H,10H2,1-3H3,(H,19,20)(H,18,21,23).
What are the key properties of N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide?
N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).