3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

C26H32N4O4 — CID 155160644

IUPAC3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=C3CC3)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C26H32N4O4/c1-18-2-5-22(27-26(32)30-7-6-20(17-30)19-3-4-19)16-23(18)21-14-24(29-8-11-33-12-9-29)28-25(15-21)34-13-10-31/h2,5,14-16,31H,3-4,6-13,17H2,1H3,(H,27,32)
InChIKeyXRQNVDRKSBEQEK-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.59
Rot. Bonds6

About 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 155160644) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID155160644
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=C3CC3)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C26H32N4O4/c1-18-2-5-22(27-26(32)30-7-6-20(17-30)19-3-4-19)16-23(18)21-14-24(29-8-11-33-12-9-29)28-25(15-21)34-13-10-31/h2,5,14-16,31H,3-4,6-13,17H2,1H3,(H,27,32)
InChIKeyXRQNVDRKSBEQEK-UHFFFAOYSA-N
XLogP3.59
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160907
(3S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 155160905
N-[3-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155700189
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 162764866
6-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
CID 90460796
(3E)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethylidene)pyrrolidine-1-carboxamide
CID 155160609
(3R)-N-[3-[2-[(2S)-2-hydroxy-3-methoxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160912
(3S)-N-[3-[2-[(2S)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 155160681
(3S)-N-[3-[2-[(2S)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160446
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 155160592
2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide
CID 168928447

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (CID 155160644) is 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(=C3CC3)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is XRQNVDRKSBEQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-18-2-5-22(27-26(32)30-7-6-20(17-30)19-3-4-19)16-23(18)21-14-24(29-8-11-33-12-9-29)28-25(15-21)34-13-10-31/h2,5,14-16,31H,3-4,6-13,17H2,1H3,(H,27,32).
What are the key properties of 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155160644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).