N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide

C20H23N5OS — CID 45267362

IUPACN-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1c(CN2CCN(C(=O)Nc3ccc(N)nc3)CC2)sc2ccccc12
InChIInChI=1S/C20H23N5OS/c1-14-16-4-2-3-5-17(16)27-18(14)13-24-8-10-25(11-9-24)20(26)23-15-6-7-19(21)22-12-15/h2-7,12H,8-11,13H2,1H3,(H2,21,22)(H,23,26)
InChIKeyAJKCAVGCYGCLQC-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.54
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide

N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 45267362) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide
PubChem CID45267362
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1c(CN2CCN(C(=O)Nc3ccc(N)nc3)CC2)sc2ccccc12
InChIInChI=1S/C20H23N5OS/c1-14-16-4-2-3-5-17(16)27-18(14)13-24-8-10-25(11-9-24)20(26)23-15-6-7-19(21)22-12-15/h2-7,12H,8-11,13H2,1H3,(H2,21,22)(H,23,26)
InChIKeyAJKCAVGCYGCLQC-UHFFFAOYSA-N
XLogP3.54
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-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-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide (CID 45267362) is N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide is Cc1c(CN2CCN(C(=O)Nc3ccc(N)nc3)CC2)sc2ccccc12.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is AJKCAVGCYGCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-16-4-2-3-5-17(16)27-18(14)13-24-8-10-25(11-9-24)20(26)23-15-6-7-19(21)22-12-15/h2-7,12H,8-11,13H2,1H3,(H2,21,22)(H,23,26).
What are the key properties of N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 45267362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).