N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide

C19H19N5O2 — CID 122421882

IUPACN-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CN(c2cnc3[nH]cc(-c4ccc(=O)[nH]c4)c3c2)C1
InChIInChI=1S/C19H19N5O2/c1-3-18(26)23(2)14-10-24(11-14)13-6-15-16(9-22-19(15)21-8-13)12-4-5-17(25)20-7-12/h3-9,14H,1,10-11H2,2H3,(H,20,25)(H,21,22)
InChIKeyYDWFULJTQZPFFD-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.75
Rot. Bonds4

About N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide

N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide (PubChem CID 122421882) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide
PubChem CID122421882
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CN(c2cnc3[nH]cc(-c4ccc(=O)[nH]c4)c3c2)C1
InChIInChI=1S/C19H19N5O2/c1-3-18(26)23(2)14-10-24(11-14)13-6-15-16(9-22-19(15)21-8-13)12-4-5-17(25)20-7-12/h3-9,14H,1,10-11H2,2H3,(H,20,25)(H,21,22)
InChIKeyYDWFULJTQZPFFD-UHFFFAOYSA-N
XLogP1.75
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide?
The IUPAC name of N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide (CID 122421882) is N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide is C=CC(=O)N(C)C1CN(c2cnc3[nH]cc(-c4ccc(=O)[nH]c4)c3c2)C1.
What is the InChIKey of N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide?
The InChIKey is YDWFULJTQZPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-18(26)23(2)14-10-24(11-14)13-6-15-16(9-22-19(15)21-8-13)12-4-5-17(25)20-7-12/h3-9,14H,1,10-11H2,2H3,(H,20,25)(H,21,22).
What are the key properties of N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide?
N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 122421882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).