methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate

C11H11N3O2 — CID 170800288

IUPACmethyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C=CCC#N)c1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)9-6-8(4-2-3-5-12)10(13)14-7-9/h2,4,6-7H,3H2,1H3,(H2,13,14)
InChIKeyGPAOPLJWURERHD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.38
Rot. Bonds3

About methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate

methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate (PubChem CID 170800288) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
PubChem CID170800288
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C=CCC#N)c1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)9-6-8(4-2-3-5-12)10(13)14-7-9/h2,4,6-7H,3H2,1H3,(H2,13,14)
InChIKeyGPAOPLJWURERHD-UHFFFAOYSA-N
XLogP1.38
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-chloro-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800321
6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170800033
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
methyl 4-(3-cyanoprop-1-enyl)-3-methoxybenzoate
CID 170800542
methyl 4-(3-cyanoprop-1-enyl)-3-methylbenzoate
CID 170800226
methyl 6-amino-5-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-3-carboxylate
CID 170494649
methyl 6-chloro-5-(3-sulfanylprop-1-enyl)pyridine-3-carboxylate
CID 169455794
4-(2-amino-5-nitro-3-pyridinyl)but-3-enenitrile
CID 170800160
methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate
CID 170800108
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile
CID 170799339
methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate
CID 146430162

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate (CID 170800288) is methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate is COC(=O)c1cnc(N)c(C=CCC#N)c1.
What is the InChIKey of methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate?
The InChIKey is GPAOPLJWURERHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)9-6-8(4-2-3-5-12)10(13)14-7-9/h2,4,6-7H,3H2,1H3,(H2,13,14).
What are the key properties of methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate?
methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate is sourced from PubChem (CID 170800288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).