(1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

C24H27N5O4 — CID 95764609

IUPAC(1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H27N5O4/c30-21(26-14-16-5-8-20(25-13-16)28-9-11-33-12-10-28)15-27-23(31)22-18-3-1-2-4-19(18)24(32)29(22)17-6-7-17/h1-5,8,13,17,22H,6-7,9-12,14-15H2,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeyGVJNBWSBMRKVLI-JOCHJYFZSA-N
MW449.51 g/mol
LogP1.01
Rot. Bonds7

About (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

(1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 95764609) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID95764609
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name(1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H27N5O4/c30-21(26-14-16-5-8-20(25-13-16)28-9-11-33-12-10-28)15-27-23(31)22-18-3-1-2-4-19(18)24(32)29(22)17-6-7-17/h1-5,8,13,17,22H,6-7,9-12,14-15H2,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeyGVJNBWSBMRKVLI-JOCHJYFZSA-N
XLogP1.01
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
S-tert-butyl 4-[3-oxo-1-[(6-propan-2-yl-3-pyridinyl)methylcarbamoyl]-1H-isoindol-2-yl]piperidine-1-carbothioate
CID 143901815
2-cyclopropyl-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide;hydrochloride
CID 120948406
(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide
CID 98786675
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
3-indol-1-yl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 18139649
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119839468
4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16602320
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42474431
1-(furan-2-carbonyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 18139630

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide (CID 95764609) is (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide is O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is GVJNBWSBMRKVLI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N5O4/c30-21(26-14-16-5-8-20(25-13-16)28-9-11-33-12-10-28)15-27-23(31)22-18-3-1-2-4-19(18)24(32)29(22)17-6-7-17/h1-5,8,13,17,22H,6-7,9-12,14-15H2,(H,26,30)(H,27,31)/t22-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide?
(1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 95764609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).