N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide

C24H19N5O2 — CID 135237851

IUPACN-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C#N)c4)c3c2)c1
InChIInChI=1S/C24H19N5O2/c1-4-23(30)29(2)19-8-16(9-20(11-19)31-3)17-10-21-22(14-28-24(21)27-13-17)15-5-6-26-18(7-15)12-25/h4-11,13-14H,1H2,2-3H3,(H,27,28)
InChIKeyKMYBJLADLKGRCC-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.32
Rot. Bonds5

About N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide

N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide (PubChem CID 135237851) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide
PubChem CID135237851
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C#N)c4)c3c2)c1
InChIInChI=1S/C24H19N5O2/c1-4-23(30)29(2)19-8-16(9-20(11-19)31-3)17-10-21-22(14-28-24(21)27-13-17)15-5-6-26-18(7-15)12-25/h4-11,13-14H,1H2,2-3H3,(H,27,28)
InChIKeyKMYBJLADLKGRCC-UHFFFAOYSA-N
XLogP4.32
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
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)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylbut-2-enamide
CID 135238547
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
N-methyl-N-[3-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421455
(E)-4-(dimethylamino)-N-methyl-N-[5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide
CID 135253599
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
(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide
CID 160947671
(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide
CID 135238002
N-[4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-phenoxy-2-pyridinyl]prop-2-enamide
CID 122421803
1-[3-(3-cyanophenyl)-5-[3-methoxy-5-[methyl(prop-2-enoyl)amino]phenyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl 2-amino-4-methylpentanoate
CID 135237966
N-[4-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]prop-2-enamide
CID 122421946
N-[5-[3-[2-(methylamino)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide
CID 122421618
[3-(2-cyano-4-pyridinyl)-5-[3-methoxy-5-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl ethyl hydrogen phosphate
CID 135238231

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide (CID 135237851) is N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C#N)c4)c3c2)c1.
What is the InChIKey of N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide?
The InChIKey is KMYBJLADLKGRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-4-23(30)29(2)19-8-16(9-20(11-19)31-3)17-10-21-22(14-28-24(21)27-13-17)15-5-6-26-18(7-15)12-25/h4-11,13-14H,1H2,2-3H3,(H,27,28).
What are the key properties of N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide?
N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide has a molecular weight of 409.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 135237851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).