(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide

C20H23N3O3 — CID 34444534

IUPAC(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)o1
InChIInChI=1S/C20H23N3O3/c1-14-12-17(14)18-5-3-16(26-18)4-7-20(24)22-15-2-6-19(21-13-15)23-8-10-25-11-9-23/h2-7,13-14,17H,8-12H2,1H3,(H,22,24)/b7-4+/t14-,17-/m1/s1
InChIKeyYUCIRERJNPCPIM-GKXYRXCGSA-N
MW353.42 g/mol
LogP3.29
Rot. Bonds5

About (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide

(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide (PubChem CID 34444534) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
PubChem CID34444534
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)o1
InChIInChI=1S/C20H23N3O3/c1-14-12-17(14)18-5-3-16(26-18)4-7-20(24)22-15-2-6-19(21-13-15)23-8-10-25-11-9-23/h2-7,13-14,17H,8-12H2,1H3,(H,22,24)/b7-4+/t14-,17-/m1/s1
InChIKeyYUCIRERJNPCPIM-GKXYRXCGSA-N
XLogP3.29
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27009996
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789
(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43016428
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 46598669
(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 75403812
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43038050
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 126815519

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide (CID 34444534) is (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide is C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)o1.
What is the InChIKey of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is YUCIRERJNPCPIM-GKXYRXCGSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-12-17(14)18-5-3-16(26-18)4-7-20(24)22-15-2-6-19(21-13-15)23-8-10-25-11-9-23/h2-7,13-14,17H,8-12H2,1H3,(H,22,24)/b7-4+/t14-,17-/m1/s1.
What are the key properties of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 353.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 34444534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).