N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

C30H32N4O3 — CID 26345512

IUPACN-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1
InChIInChI=1S/C30H32N4O3/c1-33(30(37)25-13-7-8-16-31-25)27(19-21-9-3-2-4-10-21)22-14-17-34(18-15-22)28(35)20-26-23-11-5-6-12-24(23)29(36)32-26/h2-13,16,22,26-27H,14-15,17-20H2,1H3,(H,32,36)/t26-,27+/m0/s1
InChIKeyMYWNLIFHSZDZKG-RRPNLBNLSA-N
MW496.61 g/mol
LogP3.88
Rot. Bonds7

About N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 26345512) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
PubChem CID26345512
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1
InChIInChI=1S/C30H32N4O3/c1-33(30(37)25-13-7-8-16-31-25)27(19-21-9-3-2-4-10-21)22-14-17-34(18-15-22)28(35)20-26-23-11-5-6-12-24(23)29(36)32-26/h2-13,16,22,26-27H,14-15,17-20H2,1H3,(H,32,36)/t26-,27+/m0/s1
InChIKeyMYWNLIFHSZDZKG-RRPNLBNLSA-N
XLogP3.88
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (CID 26345512) is N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1.
What is the InChIKey of N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is MYWNLIFHSZDZKG-RRPNLBNLSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-33(30(37)25-13-7-8-16-31-25)27(19-21-9-3-2-4-10-21)22-14-17-34(18-15-22)28(35)20-26-23-11-5-6-12-24(23)29(36)32-26/h2-13,16,22,26-27H,14-15,17-20H2,1H3,(H,32,36)/t26-,27+/m0/s1.
What are the key properties of N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 26345512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).