N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine

C12H13N3 — CID 10375506

IUPACN-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine
SMILESC=Cc1cccn1N(C)c1ccncc1
InChIInChI=1S/C12H13N3/c1-3-11-5-4-10-15(11)14(2)12-6-8-13-9-7-12/h3-10H,1H2,2H3
InChIKeyPMRGRIKEHLCIFM-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.43
Rot. Bonds3

About N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine

N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine (PubChem CID 10375506) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine
PubChem CID10375506
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine
SMILESC=Cc1cccn1N(C)c1ccncc1
InChIInChI=1S/C12H13N3/c1-3-11-5-4-10-15(11)14(2)12-6-8-13-9-7-12/h3-10H,1H2,2H3
InChIKeyPMRGRIKEHLCIFM-UHFFFAOYSA-N
XLogP2.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine?
The IUPAC name of N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine (CID 10375506) is N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine?
The canonical SMILES for N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine is C=Cc1cccn1N(C)c1ccncc1.
What is the InChIKey of N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine?
The InChIKey is PMRGRIKEHLCIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-11-5-4-10-15(11)14(2)12-6-8-13-9-7-12/h3-10H,1H2,2H3.
What are the key properties of N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine?
N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine has a molecular weight of 199.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylpyrrol-1-yl)-N-methylpyridin-4-amine is sourced from PubChem (CID 10375506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).