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

C28H29N5O2 — CID 149276503

IUPACN,N-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)c1[nH]c2ncc(C(=O)N(C)C)cc2c1-c1cncc(-c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C28H29N5O2/c1-17(2)26-25(23-13-21(28(35)32(3)4)16-30-27(23)31-26)20-12-19(14-29-15-20)18-7-9-22(10-8-18)33-11-5-6-24(33)34/h7-10,12-17H,5-6,11H2,1-4H3,(H,30,31)
InChIKeyXSCRPQFTUGKSDH-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.24
Rot. Bonds5

About 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

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 (PubChem CID 149276503) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID149276503
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN,N-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)c1[nH]c2ncc(C(=O)N(C)C)cc2c1-c1cncc(-c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C28H29N5O2/c1-17(2)26-25(23-13-21(28(35)32(3)4)16-30-27(23)31-26)20-12-19(14-29-15-20)18-7-9-22(10-8-18)33-11-5-6-24(33)34/h7-10,12-17H,5-6,11H2,1-4H3,(H,30,31)
InChIKeyXSCRPQFTUGKSDH-UHFFFAOYSA-N
XLogP5.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 147144985
N,N-dimethyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-7H-cyclopenta[b]pyridine-6-carboxamide
CID 162257714
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 149271340
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 146845095
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
1-[4-[5-[2-(3-cyclopropyl-3-hydroxypiperidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155210730
1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 160634990
N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide
CID 151383060
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1[nH]c2ncc(C(=O)N(C)C)cc2c1-c1cncc(-c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of 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?
The InChIKey is XSCRPQFTUGKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-17(2)26-25(23-13-21(28(35)32(3)4)16-30-27(23)31-26)20-12-19(14-29-15-20)18-7-9-22(10-8-18)33-11-5-6-24(33)34/h7-10,12-17H,5-6,11H2,1-4H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 467.57 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 149276503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).