(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide

C19H22N2O2 — CID 94186199

IUPAC(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)NCc1cccnc1OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-8-15(2)18(22)21-13-17-11-7-12-20-19(17)23-14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,22)/b15-8+
InChIKeyNFDQYEMNUJCEQZ-OVCLIPMQSA-N
MW310.40 g/mol
LogP3.63
Rot. Bonds7

About (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide

(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide (PubChem CID 94186199) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
PubChem CID94186199
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)NCc1cccnc1OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-8-15(2)18(22)21-13-17-11-7-12-20-19(17)23-14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,22)/b15-8+
InChIKeyNFDQYEMNUJCEQZ-OVCLIPMQSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
CID 167961837
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111880364
(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 94186224
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
2-methyl-1-[(4-methylphenyl)methyl]-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111245303
N,N-dimethyl-4-[[[N'-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111872927
4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 78879326
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60515107
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide?
The IUPAC name of (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide (CID 94186199) is (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide is CC/C=C(\C)C(=O)NCc1cccnc1OCc1ccccc1.
What is the InChIKey of (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide?
The InChIKey is NFDQYEMNUJCEQZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-8-15(2)18(22)21-13-17-11-7-12-20-19(17)23-14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,22)/b15-8+.
What are the key properties of (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide?
(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide is sourced from PubChem (CID 94186199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).