5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile

C11H13N3 — CID 170486897

IUPAC5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
SMILESCc1cc(C=CCCN)cnc1C#N
InChIInChI=1S/C11H13N3/c1-9-6-10(4-2-3-5-12)8-14-11(9)7-13/h2,4,6,8H,3,5,12H2,1H3
InChIKeyTXQBGELVCNZZMA-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.62
Rot. Bonds3

About 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile

5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile (PubChem CID 170486897) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
PubChem CID170486897
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
SMILESCc1cc(C=CCCN)cnc1C#N
InChIInChI=1S/C11H13N3/c1-9-6-10(4-2-3-5-12)8-14-11(9)7-13/h2,4,6,8H,3,5,12H2,1H3
InChIKeyTXQBGELVCNZZMA-UHFFFAOYSA-N
XLogP1.62
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-cyanoprop-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170799631
4-(4-aminobut-1-enyl)-2,6-dimethylaniline
CID 170486974
5-(4-amino-1,2-dihydroxybutyl)-3-methylpyridine-2-carbonitrile
CID 171881230
4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine
CID 170486654
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487396
2-(4-aminobut-1-enyl)-4-methylbenzonitrile
CID 170486986
3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine
CID 169463285
4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
CID 76997063
4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid
CID 170483507
5-(4-aminobut-1-enyl)-2-methoxybenzonitrile
CID 170487372
2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile
CID 130421315

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile?
The IUPAC name of 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile (CID 170486897) is 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile is Cc1cc(C=CCCN)cnc1C#N.
What is the InChIKey of 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile?
The InChIKey is TXQBGELVCNZZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-6-10(4-2-3-5-12)8-14-11(9)7-13/h2,4,6,8H,3,5,12H2,1H3.
What are the key properties of 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile?
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 170486897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).