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

C18H17N3 — CID 10731117

IUPACN-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine
SMILESCN(c1ccncc1)n1cccc1/C=C/c1ccccc1
InChIInChI=1S/C18H17N3/c1-20(17-11-13-19-14-12-17)21-15-5-8-18(21)10-9-16-6-3-2-4-7-16/h2-15H,1H3/b10-9+
InChIKeyKZHQBDSCCKUZBF-MDZDMXLPSA-N
MW275.36 g/mol
LogP3.95
Rot. Bonds4

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

N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine (PubChem CID 10731117) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine
PubChem CID10731117
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine
SMILESCN(c1ccncc1)n1cccc1/C=C/c1ccccc1
InChIInChI=1S/C18H17N3/c1-20(17-11-13-19-14-12-17)21-15-5-8-18(21)10-9-16-6-3-2-4-7-16/h2-15H,1H3/b10-9+
InChIKeyKZHQBDSCCKUZBF-MDZDMXLPSA-N
XLogP3.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.95
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-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine?
The IUPAC name of N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine (CID 10731117) is N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine?
The canonical SMILES for N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine is CN(c1ccncc1)n1cccc1/C=C/c1ccccc1.
What is the InChIKey of N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine?
The InChIKey is KZHQBDSCCKUZBF-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17N3/c1-20(17-11-13-19-14-12-17)21-15-5-8-18(21)10-9-16-6-3-2-4-7-16/h2-15H,1H3/b10-9+.
What are the key properties of N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine?
N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(E)-2-phenylethenyl]pyrrol-1-yl]pyridin-4-amine is sourced from PubChem (CID 10731117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).