N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine

C18H19N3 — CID 10707688

IUPACN-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine
SMILESCN(c1ccncc1)n1cccc1CCc1ccccc1
InChIInChI=1S/C18H19N3/c1-20(17-11-13-19-14-12-17)21-15-5-8-18(21)10-9-16-6-3-2-4-7-16/h2-8,11-15H,9-10H2,1H3
InChIKeyWXKCKIDBENVRFE-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.57
Rot. Bonds5

About N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine

N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine (PubChem CID 10707688) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine
PubChem CID10707688
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine
SMILESCN(c1ccncc1)n1cccc1CCc1ccccc1
InChIInChI=1S/C18H19N3/c1-20(17-11-13-19-14-12-17)21-15-5-8-18(21)10-9-16-6-3-2-4-7-16/h2-8,11-15H,9-10H2,1H3
InChIKeyWXKCKIDBENVRFE-UHFFFAOYSA-N
XLogP3.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine?
The IUPAC name of N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine (CID 10707688) is N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine?
The canonical SMILES for N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine is CN(c1ccncc1)n1cccc1CCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine?
The InChIKey is WXKCKIDBENVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-20(17-11-13-19-14-12-17)21-15-5-8-18(21)10-9-16-6-3-2-4-7-16/h2-8,11-15H,9-10H2,1H3.
What are the key properties of N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine?
N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-phenylethyl)pyrrol-1-yl]pyridin-4-amine is sourced from PubChem (CID 10707688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).