N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide

C17H24ClN3O2 — CID 95229780

IUPACN-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC[C@@H]1CN(Cc2ccncc2Cl)CCO1
InChIInChI=1S/C17H24ClN3O2/c1-13(2)9-17(22)20-6-4-15-12-21(7-8-23-15)11-14-3-5-19-10-16(14)18/h3,5,9-10,15H,4,6-8,11-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyQYEFSHAAQDSOPZ-OAHLLOKOSA-N
MW337.85 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide

N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide (PubChem CID 95229780) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide
PubChem CID95229780
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC[C@@H]1CN(Cc2ccncc2Cl)CCO1
InChIInChI=1S/C17H24ClN3O2/c1-13(2)9-17(22)20-6-4-15-12-21(7-8-23-15)11-14-3-5-19-10-16(14)18/h3,5,9-10,15H,4,6-8,11-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyQYEFSHAAQDSOPZ-OAHLLOKOSA-N
XLogP2.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine
CID 77085876
[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
CID 89443070
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115667178
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
N-[2-[4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]ethyl]acetamide
CID 56702229
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
N-[2-[(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 95190577
N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide
CID 56717740
1-ethyl-3-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]urea
CID 95197566
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide?
The IUPAC name of N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide (CID 95229780) is N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCC[C@@H]1CN(Cc2ccncc2Cl)CCO1.
What is the InChIKey of N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide?
The InChIKey is QYEFSHAAQDSOPZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-13(2)9-17(22)20-6-4-15-12-21(7-8-23-15)11-14-3-5-19-10-16(14)18/h3,5,9-10,15H,4,6-8,11-12H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide?
N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide has a molecular weight of 337.85 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide is sourced from PubChem (CID 95229780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).