N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide

C24H22N4O2 — CID 135237963

IUPACN-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cccc(-c2cnc3c(c2)c(-c2ccnc(OC)c2)cn3C)c1
InChIInChI=1S/C24H22N4O2/c1-5-23(29)28(3)19-8-6-7-16(11-19)18-12-20-21(15-27(2)24(20)26-14-18)17-9-10-25-22(13-17)30-4/h5-15H,1H2,2-4H3
InChIKeyWRXJAHRGKNWDMQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.46
Rot. Bonds5

About N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide

N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide (PubChem CID 135237963) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide
PubChem CID135237963
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cccc(-c2cnc3c(c2)c(-c2ccnc(OC)c2)cn3C)c1
InChIInChI=1S/C24H22N4O2/c1-5-23(29)28(3)19-8-6-7-16(11-19)18-12-20-21(15-27(2)24(20)26-14-18)17-9-10-25-22(13-17)30-4/h5-15H,1H2,2-4H3
InChIKeyWRXJAHRGKNWDMQ-UHFFFAOYSA-N
XLogP4.46
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(dimethylamino)-N-[3-[3-(2-fluoro-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide
CID 135237744
1-[5-[3-methoxy-5-[methyl(prop-2-enoyl)amino]phenyl]-3-(2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl dihydrogen phosphate
CID 135238507
[3-(2-methoxy-4-pyridinyl)-5-[3-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
CID 135237983
[3-(2-methoxy-4-pyridinyl)-5-[3-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl 2-amino-4-methylpentanoate
CID 135237784
1-[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]-5-methoxyphenyl]-3-(2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl ethyl hydrogen phosphate
CID 135238418
N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)
CID 159248570
[3-(2-methoxy-4-pyridinyl)-5-[5-(prop-2-enoylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methyl dihydrogen phosphate
CID 135238049
1-[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]phenyl]-3-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl 2-amino-3-methylpentanoate
CID 135237868
N-methyl-N-[3-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421455
1-[3-(3-cyanophenyl)-5-[5-[methyl(prop-2-enoyl)amino]-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl diethyl phosphate
CID 135238460
N-[5-[3-(2-cyano-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide
CID 135237789
N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-methyl-2-oxo-3-pyridinyl]prop-2-enamide
CID 122421378

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide (CID 135237963) is N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1cccc(-c2cnc3c(c2)c(-c2ccnc(OC)c2)cn3C)c1.
What is the InChIKey of N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
The InChIKey is WRXJAHRGKNWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-5-23(29)28(3)19-8-6-7-16(11-19)18-12-20-21(15-27(2)24(20)26-14-18)17-9-10-25-22(13-17)30-4/h5-15H,1H2,2-4H3.
What are the key properties of N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide?
N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide has a molecular weight of 398.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-methoxy-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 135237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).