N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide

C29H28N6O — CID 145222316

IUPACN-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1c[nH]c2ncc(CNC(=O)c3ccnc(Cc4ccc5ncc(N6CCCC6)cc5c4)c3)cc12
InChIInChI=1S/C29H28N6O/c1-19-15-32-28-26(19)12-21(16-33-28)17-34-29(36)22-6-7-30-24(13-22)11-20-4-5-27-23(10-20)14-25(18-31-27)35-8-2-3-9-35/h4-7,10,12-16,18H,2-3,8-9,11,17H2,1H3,(H,32,33)(H,34,36)
InChIKeyAARZQQAGMDQPCU-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.94
Rot. Bonds6

About N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 145222316) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID145222316
Molecular FormulaC29H28N6O
Molecular Weight476.58 g/mol
Exact Mass476.23
IUPAC NameN-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1c[nH]c2ncc(CNC(=O)c3ccnc(Cc4ccc5ncc(N6CCCC6)cc5c4)c3)cc12
InChIInChI=1S/C29H28N6O/c1-19-15-32-28-26(19)12-21(16-33-28)17-34-29(36)22-6-7-30-24(13-22)11-20-4-5-27-23(10-20)14-25(18-31-27)35-8-2-3-9-35/h4-7,10,12-16,18H,2-3,8-9,11,17H2,1H3,(H,32,33)(H,34,36)
InChIKeyAARZQQAGMDQPCU-UHFFFAOYSA-N
XLogP4.94
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine
CID 162232594
N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213098
tert-butyl 4-[6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinolin-3-yl]piperazine-1-carboxylate
CID 159953564
tert-butyl 4-[6-[[4-[(3-chloro-6-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinolin-3-yl]piperazine-1-carboxylate;ethane;methane
CID 145222296
N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665343
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222
N-[(3-amino-1-methylimidazo[1,5-a]pyridin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665326
N-[(3-chloro-6-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 138690495
2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 118665244
N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[[3-methylsulfonyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118212995
N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665307
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide
CID 154505213

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 145222316) is N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1c[nH]c2ncc(CNC(=O)c3ccnc(Cc4ccc5ncc(N6CCCC6)cc5c4)c3)cc12.
What is the InChIKey of N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is AARZQQAGMDQPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O/c1-19-15-32-28-26(19)12-21(16-33-28)17-34-29(36)22-6-7-30-24(13-22)11-20-4-5-27-23(10-20)14-25(18-31-27)35-8-2-3-9-35/h4-7,10,12-16,18H,2-3,8-9,11,17H2,1H3,(H,32,33)(H,34,36).
What are the key properties of N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-pyrrolidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 145222316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).