(E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine

C18H21N3O2 — CID 164560022

IUPAC(E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine
SMILESN/C=C(/OCc1ccccc1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C18H21N3O2/c19-13-18(23-14-15-4-2-1-3-5-15)17-12-16(6-7-20-17)21-8-10-22-11-9-21/h1-7,12-13H,8-11,14,19H2/b18-13+
InChIKeyOCQQGZMMMGYNCM-QGOAFFKASA-N
MW311.38 g/mol
LogP2.39
Rot. Bonds5

About (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine

(E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine (PubChem CID 164560022) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine.

Molecular Properties

Compound Name(E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine
PubChem CID164560022
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine
SMILESN/C=C(/OCc1ccccc1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C18H21N3O2/c19-13-18(23-14-15-4-2-1-3-5-15)17-12-16(6-7-20-17)21-8-10-22-11-9-21/h1-7,12-13H,8-11,14,19H2/b18-13+
InChIKeyOCQQGZMMMGYNCM-QGOAFFKASA-N
XLogP2.39
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
4-morpholin-4-yl-N-phenylpyridine-2-carboximidoyl chloride;hydrochloride
CID 15561769
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
3-[[6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(2-phenylmethoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 174018714
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
benzyl N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)carbamate
CID 110400424
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
methyl 4-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-2-carboxylate
CID 86648699

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine?
The IUPAC name of (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine (CID 164560022) is (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine.
What is the SMILES notation for (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine?
The canonical SMILES for (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine is N/C=C(/OCc1ccccc1)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine?
The InChIKey is OCQQGZMMMGYNCM-QGOAFFKASA-N. The full InChI is InChI=1S/C18H21N3O2/c19-13-18(23-14-15-4-2-1-3-5-15)17-12-16(6-7-20-17)21-8-10-22-11-9-21/h1-7,12-13H,8-11,14,19H2/b18-13+.
What are the key properties of (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine?
(E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine has a molecular weight of 311.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-morpholin-4-yl-2-pyridinyl)-2-phenylmethoxyethenamine is sourced from PubChem (CID 164560022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).