(Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide

C10H13N3O2 — CID 165439868

IUPAC(Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide
SMILESC/C=C\C(=O)Nc1ncc(N)cc1OC
InChIInChI=1S/C10H13N3O2/c1-3-4-9(14)13-10-8(15-2)5-7(11)6-12-10/h3-6H,11H2,1-2H3,(H,12,13,14)/b4-3-
InChIKeyCVCVUIAAURKZCU-ARJAWSKDSA-N
MW207.23 g/mol
LogP1.19
Rot. Bonds3

About (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide

(Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide (PubChem CID 165439868) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide
PubChem CID165439868
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide
SMILESC/C=C\C(=O)Nc1ncc(N)cc1OC
InChIInChI=1S/C10H13N3O2/c1-3-4-9(14)13-10-8(15-2)5-7(11)6-12-10/h3-6H,11H2,1-2H3,(H,12,13,14)/b4-3-
InChIKeyCVCVUIAAURKZCU-ARJAWSKDSA-N
XLogP1.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559
1-(5-amino-3-methoxy-2-pyridinyl)ethanone
CID 130047706
3-(but-2-enoylamino)-4-methoxybenzoic acid
CID 77004878
N-(5-methoxypyrimidin-4-yl)prop-2-enamide
CID 166406889
N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458
methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate
CID 168842871
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
N-(5-amino-3-methyl-2-pyridinyl)-2-methoxy-2-methylpropanamide
CID 103017963
N-(5-amino-3-methyl-2-pyridinyl)-4-methoxybutanamide
CID 112555420
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide?
The IUPAC name of (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide (CID 165439868) is (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide.
What is the SMILES notation for (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide?
The canonical SMILES for (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide is C/C=C\C(=O)Nc1ncc(N)cc1OC.
What is the InChIKey of (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide?
The InChIKey is CVCVUIAAURKZCU-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-4-9(14)13-10-8(15-2)5-7(11)6-12-10/h3-6H,11H2,1-2H3,(H,12,13,14)/b4-3-.
What are the key properties of (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide?
(Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide is sourced from PubChem (CID 165439868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).