N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine

C24H23N3 — CID 139374550

IUPACN-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine
SMILESC=C(c1c[nH]c2c1=CCC=CC=2)C(Nc1ccnc(C)c1)c1ccccc1
InChIInChI=1S/C24H23N3/c1-17-15-20(13-14-25-17)27-24(19-9-5-3-6-10-19)18(2)22-16-26-23-12-8-4-7-11-21(22)23/h3-6,8-16,24,26H,2,7H2,1H3,(H,25,27)
InChIKeyDQLNKWYUXOUUCU-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine

N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine (PubChem CID 139374550) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine
PubChem CID139374550
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC NameN-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine
SMILESC=C(c1c[nH]c2c1=CCC=CC=2)C(Nc1ccnc(C)c1)c1ccccc1
InChIInChI=1S/C24H23N3/c1-17-15-20(13-14-25-17)27-24(19-9-5-3-6-10-19)18(2)22-16-26-23-12-8-4-7-11-21(22)23/h3-6,8-16,24,26H,2,7H2,1H3,(H,25,27)
InChIKeyDQLNKWYUXOUUCU-UHFFFAOYSA-N
XLogP4.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine?
The IUPAC name of N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine (CID 139374550) is N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine is C=C(c1c[nH]c2c1=CCC=CC=2)C(Nc1ccnc(C)c1)c1ccccc1.
What is the InChIKey of N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine?
The InChIKey is DQLNKWYUXOUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-17-15-20(13-14-25-17)27-24(19-9-5-3-6-10-19)18(2)22-16-26-23-12-8-4-7-11-21(22)23/h3-6,8-16,24,26H,2,7H2,1H3,(H,25,27).
What are the key properties of N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine?
N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-phenylprop-2-enyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 139374550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).