N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide

C24H28FN5O — CID 148802633

IUPACN-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide
SMILESCc1cc(C2=CCC(C(=O)Nc3cccc(F)c3N3CCC(C)(CN)CC3)=N2)ccn1
InChIInChI=1S/C24H28FN5O/c1-16-14-17(8-11-27-16)19-6-7-21(28-19)23(31)29-20-5-3-4-18(25)22(20)30-12-9-24(2,15-26)10-13-30/h3-6,8,11,14H,7,9-10,12-13,15,26H2,1-2H3,(H,29,31)
InChIKeyOOIFQSJUCAXNDK-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.92
Rot. Bonds5

About N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide

N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide (PubChem CID 148802633) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide
PubChem CID148802633
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide
SMILESCc1cc(C2=CCC(C(=O)Nc3cccc(F)c3N3CCC(C)(CN)CC3)=N2)ccn1
InChIInChI=1S/C24H28FN5O/c1-16-14-17(8-11-27-16)19-6-7-21(28-19)23(31)29-20-5-3-4-18(25)22(20)30-12-9-24(2,15-26)10-13-30/h3-6,8,11,14H,7,9-10,12-13,15,26H2,1-2H3,(H,29,31)
InChIKeyOOIFQSJUCAXNDK-UHFFFAOYSA-N
XLogP3.92
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide 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-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide (CID 148802633) is N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide is Cc1cc(C2=CCC(C(=O)Nc3cccc(F)c3N3CCC(C)(CN)CC3)=N2)ccn1.
What is the InChIKey of N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide?
The InChIKey is OOIFQSJUCAXNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-16-14-17(8-11-27-16)19-6-7-21(28-19)23(31)29-20-5-3-4-18(25)22(20)30-12-9-24(2,15-26)10-13-30/h3-6,8,11,14H,7,9-10,12-13,15,26H2,1-2H3,(H,29,31).
What are the key properties of N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide?
N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorophenyl]-5-(2-methyl-4-pyridinyl)-3H-pyrrole-2-carboxamide is sourced from PubChem (CID 148802633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).