N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide

C27H35N5O4 — CID 139527170

IUPACN-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C1CCOCC1
InChIInChI=1S/C27H35N5O4/c33-25(18-30-10-7-20-3-1-2-4-22(20)16-30)19-32-12-11-31(27(32)35)17-24-6-5-23(15-28-24)29-26(34)21-8-13-36-14-9-21/h1-6,15,21,25,33H,7-14,16-19H2,(H,29,34)/t25-/m1/s1
InChIKeyRHLCHYYLKCLXKV-RUZDIDTESA-N
MW493.61 g/mol
LogP2.10
Rot. Bonds8

About N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide

N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide (PubChem CID 139527170) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide
PubChem CID139527170
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC NameN-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C1CCOCC1
InChIInChI=1S/C27H35N5O4/c33-25(18-30-10-7-20-3-1-2-4-22(20)16-30)19-32-12-11-31(27(32)35)17-24-6-5-23(15-28-24)29-26(34)21-8-13-36-14-9-21/h1-6,15,21,25,33H,7-14,16-19H2,(H,29,34)/t25-/m1/s1
InChIKeyRHLCHYYLKCLXKV-RUZDIDTESA-N
XLogP2.10
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide with MolForge

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Related Compounds

CID 68751275
CID 68751275
CID 68751422
CID 68751422
CID 68752561
CID 68752561
CID 68753105
CID 68753105
CID 139519909
CID 139519909
CID 139526962
CID 139526962
CID 166637170
CID 166637170
CID 139511258
CID 139511258
CID 139511544
CID 139511544
CID 139511625
CID 139511625
CID 139513000
CID 139513000
CID 139513008
CID 139513008

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide (CID 139527170) is N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C1CCOCC1.
What is the InChIKey of N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is RHLCHYYLKCLXKV-RUZDIDTESA-N. The full InChI is InChI=1S/C27H35N5O4/c33-25(18-30-10-7-20-3-1-2-4-22(20)16-30)19-32-12-11-31(27(32)35)17-24-6-5-23(15-28-24)29-26(34)21-8-13-36-14-9-21/h1-6,15,21,25,33H,7-14,16-19H2,(H,29,34)/t25-/m1/s1.
What are the key properties of N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide?
N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 139527170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).