2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide

C28H35N5O3 — CID 146609993

IUPAC2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
SMILESCC1CC[C@H](N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)CN1
InChIInChI=1S/C28H35N5O3/c1-17-7-10-21(15-30-17)33(26(36)27(2,3)4)16-23(34)31-20-9-8-18-13-28(14-19(18)12-20)22-6-5-11-29-24(22)32-25(28)35/h5-6,8-9,11-12,17,21,30H,7,10,13-16H2,1-4H3,(H,31,34)(H,29,32,35)/t17?,21-,28+/m0/s1
InChIKeyORPVZGZEJMJCQX-ZJQOGPBUSA-N
MW489.62 g/mol
LogP3.02
Rot. Bonds4

About 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide

2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide (PubChem CID 146609993) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
PubChem CID146609993
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
SMILESCC1CC[C@H](N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)CN1
InChIInChI=1S/C28H35N5O3/c1-17-7-10-21(15-30-17)33(26(36)27(2,3)4)16-23(34)31-20-9-8-18-13-28(14-19(18)12-20)22-6-5-11-29-24(22)32-25(28)35/h5-6,8-9,11-12,17,21,30H,7,10,13-16H2,1-4H3,(H,31,34)(H,29,32,35)/t17?,21-,28+/m0/s1
InChIKeyORPVZGZEJMJCQX-ZJQOGPBUSA-N
XLogP3.02
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide (CID 146609993) is 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide is CC1CC[C@H](N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)CN1.
What is the InChIKey of 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?
The InChIKey is ORPVZGZEJMJCQX-ZJQOGPBUSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-17-7-10-21(15-30-17)33(26(36)27(2,3)4)16-23(34)31-20-9-8-18-13-28(14-19(18)12-20)22-6-5-11-29-24(22)32-25(28)35/h5-6,8-9,11-12,17,21,30H,7,10,13-16H2,1-4H3,(H,31,34)(H,29,32,35)/t17?,21-,28+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?
2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide has a molecular weight of 489.62 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide is sourced from PubChem (CID 146609993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).