N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide

C19H17N3O2 — CID 169260634

IUPACN-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc2c(c1)c(-c1ccc(C(C)=O)cc1)cn2C
InChIInChI=1S/C19H17N3O2/c1-4-18(24)21-15-9-16-17(11-22(3)19(16)20-10-15)14-7-5-13(6-8-14)12(2)23/h4-11H,1H2,2-3H3,(H,21,24)
InChIKeyQWQTWSXEFSYHSO-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.57
Rot. Bonds4

About N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide

N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide (PubChem CID 169260634) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
PubChem CID169260634
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc2c(c1)c(-c1ccc(C(C)=O)cc1)cn2C
InChIInChI=1S/C19H17N3O2/c1-4-18(24)21-15-9-16-17(11-22(3)19(16)20-10-15)14-7-5-13(6-8-14)12(2)23/h4-11H,1H2,2-3H3,(H,21,24)
InChIKeyQWQTWSXEFSYHSO-UHFFFAOYSA-N
XLogP3.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-cyanophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260618
N-[5-[3-(2-cyano-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide
CID 135237789
N-[3-[2-(3-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318346
N-[3-(cyclohexylmethyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260625
N-[3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318313
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
1-(1-methyl-3-phenylindol-6-yl)ethanone
CID 59626112
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-(prop-2-enoylamino)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 175258842
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
N-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridin-5-yl]prop-2-enamide
CID 169173121
[3-(2-cyano-4-pyridinyl)-5-[5-(prop-2-enoylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methyl acetate
CID 135238198
N-[1-(4,5-dichloro-2-methylphenyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]prop-2-enamide
CID 169173142

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide?
The IUPAC name of N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide (CID 169260634) is N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide is C=CC(=O)Nc1cnc2c(c1)c(-c1ccc(C(C)=O)cc1)cn2C.
What is the InChIKey of N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide?
The InChIKey is QWQTWSXEFSYHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-4-18(24)21-15-9-16-17(11-22(3)19(16)20-10-15)14-7-5-13(6-8-14)12(2)23/h4-11H,1H2,2-3H3,(H,21,24).
What are the key properties of N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide?
N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide is sourced from PubChem (CID 169260634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).