[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate

C15H19N3O4 — CID 144940825

IUPAC[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate
SMILESC=C/C(=C\C)COC(=O)Nc1ccc(C(=O)N(C)OC)nc1
InChIInChI=1S/C15H19N3O4/c1-5-11(6-2)10-22-15(20)17-12-7-8-13(16-9-12)14(19)18(3)21-4/h5-9H,1,10H2,2-4H3,(H,17,20)/b11-6+
InChIKeyNACFBXGHXAKJSY-IZZDOVSWSA-N
MW305.33 g/mol
LogP2.40
Rot. Bonds6

About [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate

[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate (PubChem CID 144940825) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Name[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate
PubChem CID144940825
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate
SMILESC=C/C(=C\C)COC(=O)Nc1ccc(C(=O)N(C)OC)nc1
InChIInChI=1S/C15H19N3O4/c1-5-11(6-2)10-22-15(20)17-12-7-8-13(16-9-12)14(19)18(3)21-4/h5-9H,1,10H2,2-4H3,(H,17,20)/b11-6+
InChIKeyNACFBXGHXAKJSY-IZZDOVSWSA-N
XLogP2.40
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E)-2-ethenylpenta-2,4-dienyl] N-(6-formyl-3-pyridinyl)carbamate
CID 144940827
N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide
CID 123784740
5-ethyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 23143535
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058
N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide
CID 141406084
N-methoxy-N-methyl-5-(2-phenylethyl)pyridine-2-carboxamide
CID 175979322
5-(ethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 104639848
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoic acid
CID 162377884
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate?
The IUPAC name of [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate (CID 144940825) is [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate.
What is the SMILES notation for [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate?
The canonical SMILES for [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate is C=C/C(=C\C)COC(=O)Nc1ccc(C(=O)N(C)OC)nc1.
What is the InChIKey of [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate?
The InChIKey is NACFBXGHXAKJSY-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-5-11(6-2)10-22-15(20)17-12-7-8-13(16-9-12)14(19)18(3)21-4/h5-9H,1,10H2,2-4H3,(H,17,20)/b11-6+.
What are the key properties of [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate?
[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 144940825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).