N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine

C23H33N5 — CID 138511895

IUPACN-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine
SMILESC=C(CCc1ccccn1)NC(=C)c1ccn(CNCC2CCNCC2)c1C
InChIInChI=1S/C23H33N5/c1-18(7-8-22-6-4-5-12-26-22)27-19(2)23-11-15-28(20(23)3)17-25-16-21-9-13-24-14-10-21/h4-6,11-12,15,21,24-25,27H,1-2,7-10,13-14,16-17H2,3H3
InChIKeyITKHLRGBGWWWAQ-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.45
Rot. Bonds10

About N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine

N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine (PubChem CID 138511895) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine
PubChem CID138511895
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine
SMILESC=C(CCc1ccccn1)NC(=C)c1ccn(CNCC2CCNCC2)c1C
InChIInChI=1S/C23H33N5/c1-18(7-8-22-6-4-5-12-26-22)27-19(2)23-11-15-28(20(23)3)17-25-16-21-9-13-24-14-10-21/h4-6,11-12,15,21,24-25,27H,1-2,7-10,13-14,16-17H2,3H3
InChIKeyITKHLRGBGWWWAQ-UHFFFAOYSA-N
XLogP3.45
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-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-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine?
The IUPAC name of N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine (CID 138511895) is N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine.
What is the SMILES notation for N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine?
The canonical SMILES for N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine is C=C(CCc1ccccn1)NC(=C)c1ccn(CNCC2CCNCC2)c1C.
What is the InChIKey of N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine?
The InChIKey is ITKHLRGBGWWWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-18(7-8-22-6-4-5-12-26-22)27-19(2)23-11-15-28(20(23)3)17-25-16-21-9-13-24-14-10-21/h4-6,11-12,15,21,24-25,27H,1-2,7-10,13-14,16-17H2,3H3.
What are the key properties of N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine?
N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine has a molecular weight of 379.55 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-1-[(piperidin-4-ylmethylamino)methyl]pyrrol-3-yl]ethenyl]-4-pyridin-2-ylbut-1-en-2-amine is sourced from PubChem (CID 138511895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).