4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide

C33H41N5O2 — CID 177353450

IUPAC4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESC[C@@H]1C(CN2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)=Cc2c(-n3ccc(NC(C)(C)C)cc3=O)ccnc21
InChIInChI=1S/C33H41N5O2/c1-22-26(21-37-16-12-24(13-17-37)23-7-9-25(10-8-23)32(40)36(5)6)19-28-29(11-15-34-31(22)28)38-18-14-27(20-30(38)39)35-33(2,3)4/h7-11,14-15,18-20,22,24,35H,12-13,16-17,21H2,1-6H3/t22-/m1/s1
InChIKeyAHAGOXUCNYQSRQ-JOCHJYFZSA-N
MW539.72 g/mol
LogP5.52
Rot. Bonds6

About 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide

4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 177353450) has the molecular formula C33H41N5O2 and a molecular weight of 539.72 g/mol. Its IUPAC name is 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
PubChem CID177353450
Molecular FormulaC33H41N5O2
Molecular Weight539.72 g/mol
Exact Mass539.33
IUPAC Name4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESC[C@@H]1C(CN2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)=Cc2c(-n3ccc(NC(C)(C)C)cc3=O)ccnc21
InChIInChI=1S/C33H41N5O2/c1-22-26(21-37-16-12-24(13-17-37)23-7-9-25(10-8-23)32(40)36(5)6)19-28-29(11-15-34-31(22)28)38-18-14-27(20-30(38)39)35-33(2,3)4/h7-11,14-15,18-20,22,24,35H,12-13,16-17,21H2,1-6H3/t22-/m1/s1
InChIKeyAHAGOXUCNYQSRQ-JOCHJYFZSA-N
XLogP5.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

ethyl N-[1-[2-[[4-[4-(dimethylcarbamoyl)phenyl]piperidin-1-yl]methyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-2-oxo-4-pyridinyl]carbamate
CID 177300965
4-[(3R,4R)-3-fluoro-1-[[(7S)-7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7,8-dihydroquinolin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353106
N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
CID 177301255
4-[1-[[1-(2,2-dimethylpropyl)-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177354057
N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
CID 177354049
4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177300655
4-[1-[[4-[4-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 177353261
4-[1-[[4-[6-(hydroxymethylamino)-3-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353496
N,N-dimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177300731
4-[1-[(E)-3-[4-(2-aminopyrimidin-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177354588
4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177300904
N,N-dimethyl-4-[1-[[4-[6-(methylamino)-3-pyridinyl]-1-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
CID 177353717

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide (CID 177353450) is 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide is C[C@@H]1C(CN2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)=Cc2c(-n3ccc(NC(C)(C)C)cc3=O)ccnc21.
What is the InChIKey of 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is AHAGOXUCNYQSRQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C33H41N5O2/c1-22-26(21-37-16-12-24(13-17-37)23-7-9-25(10-8-23)32(40)36(5)6)19-28-29(11-15-34-31(22)28)38-18-14-27(20-30(38)39)35-33(2,3)4/h7-11,14-15,18-20,22,24,35H,12-13,16-17,21H2,1-6H3/t22-/m1/s1.
What are the key properties of 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 539.72 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(7R)-4-[4-(tert-butylamino)-2-oxo-1-pyridinyl]-7-methyl-7H-cyclopenta[b]pyridin-6-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177353450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).