N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide

C25H23N5O2 — CID 147144985

IUPACN,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2c(c1)c(-c1cncc(-c3ccc(N4CCCC4=O)cc3)c1)cn2C
InChIInChI=1S/C25H23N5O2/c1-26-25(32)19-11-21-22(15-29(2)24(21)28-14-19)18-10-17(12-27-13-18)16-5-7-20(8-6-16)30-9-3-4-23(30)31/h5-8,10-15H,3-4,9H2,1-2H3,(H,26,32)
InChIKeyBSWCAJRURDINTB-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.79
Rot. Bonds4

About N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide

N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 147144985) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID147144985
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2c(c1)c(-c1cncc(-c3ccc(N4CCCC4=O)cc3)c1)cn2C
InChIInChI=1S/C25H23N5O2/c1-26-25(32)19-11-21-22(15-29(2)24(21)28-14-19)18-10-17(12-27-13-18)16-5-7-20(8-6-16)30-9-3-4-23(30)31/h5-8,10-15H,3-4,9H2,1-2H3,(H,26,32)
InChIKeyBSWCAJRURDINTB-UHFFFAOYSA-N
XLogP3.79
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
tert-butyl 4-[1-methyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 155210762
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 149271340
N,N-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 149276503
methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide
CID 151383060
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 160634990
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-pyridin-4-yl-7H-cyclopenta[b]pyridine-6-carboxamide
CID 158497159

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide (CID 147144985) is N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2c(c1)c(-c1cncc(-c3ccc(N4CCCC4=O)cc3)c1)cn2C.
What is the InChIKey of N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is BSWCAJRURDINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-26-25(32)19-11-21-22(15-29(2)24(21)28-14-19)18-10-17(12-27-13-18)16-5-7-20(8-6-16)30-9-3-4-23(30)31/h5-8,10-15H,3-4,9H2,1-2H3,(H,26,32).
What are the key properties of N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 147144985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).