methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate

C11H14N2O2 — CID 19890803

IUPACmethyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate
SMILESCC/C(=C/C(=O)OC)Nc1cccnc1
InChIInChI=1S/C11H14N2O2/c1-3-9(7-11(14)15-2)13-10-5-4-6-12-8-10/h4-8,13H,3H2,1-2H3/b9-7-
InChIKeyBNJZCBRSQDJAID-CLFYSBASSA-N
MW206.25 g/mol
LogP1.96
Rot. Bonds4

About methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate

methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate (PubChem CID 19890803) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate
PubChem CID19890803
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate
SMILESCC/C(=C/C(=O)OC)Nc1cccnc1
InChIInChI=1S/C11H14N2O2/c1-3-9(7-11(14)15-2)13-10-5-4-6-12-8-10/h4-8,13H,3H2,1-2H3/b9-7-
InChIKeyBNJZCBRSQDJAID-CLFYSBASSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.96
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

(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
CID 99633361
methyl 2-(pyridin-3-ylcarbamoyl)butanoate
CID 115187840
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
CID 47303477
methyl (Z)-3-[2-(trifluoromethyl)anilino]pent-2-enoate
CID 68542653
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate?
The IUPAC name of methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate (CID 19890803) is methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate.
What is the SMILES notation for methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate?
The canonical SMILES for methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate is CC/C(=C/C(=O)OC)Nc1cccnc1.
What is the InChIKey of methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate?
The InChIKey is BNJZCBRSQDJAID-CLFYSBASSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-9(7-11(14)15-2)13-10-5-4-6-12-8-10/h4-8,13H,3H2,1-2H3/b9-7-.
What are the key properties of methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate?
methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate has a molecular weight of 206.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(pyridin-3-ylamino)pent-2-enoate is sourced from PubChem (CID 19890803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).