methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate

C13H18N2O2 — CID 168905703

IUPACmethyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate
SMILESCCC/C=C(/C)c1c(C(=O)OC)ccnc1N
InChIInChI=1S/C13H18N2O2/c1-4-5-6-9(2)11-10(13(16)17-3)7-8-15-12(11)14/h6-8H,4-5H2,1-3H3,(H2,14,15)/b9-6-
InChIKeySSVVAQKXPYFTCR-TWGQIWQCSA-N
MW234.30 g/mol
LogP2.65
Rot. Bonds4

About methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate

methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate (PubChem CID 168905703) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate
PubChem CID168905703
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate
SMILESCCC/C=C(/C)c1c(C(=O)OC)ccnc1N
InChIInChI=1S/C13H18N2O2/c1-4-5-6-9(2)11-10(13(16)17-3)7-8-15-12(11)14/h6-8H,4-5H2,1-3H3,(H2,14,15)/b9-6-
InChIKeySSVVAQKXPYFTCR-TWGQIWQCSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-carbamoylpyridine-4-carboxylate
CID 174835549
methyl 2-amino-4-methoxypyridine-3-carboxylate
CID 131557944
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 171028893
methyl 2-amino-4-cyanopyridine-3-carboxylate
CID 130777636
2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 56923796
diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one
CID 174427058
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate (CID 168905703) is methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate is CCC/C=C(/C)c1c(C(=O)OC)ccnc1N.
What is the InChIKey of methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate?
The InChIKey is SSVVAQKXPYFTCR-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-5-6-9(2)11-10(13(16)17-3)7-8-15-12(11)14/h6-8H,4-5H2,1-3H3,(H2,14,15)/b9-6-.
What are the key properties of methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate?
methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate is sourced from PubChem (CID 168905703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).