N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

C21H28N4O — CID 143600558

IUPACN,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)c2ccc(CN3CCNC(C)C3)cc2)c(C)n1
InChIInChI=1S/C21H28N4O/c1-15-5-10-20(17(3)23-15)21(26)24(4)19-8-6-18(7-9-19)14-25-12-11-22-16(2)13-25/h5-10,16,22H,11-14H2,1-4H3
InChIKeySKEFIHPVVDGWRU-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.77
Rot. Bonds4

About N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 143600558) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID143600558
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)c2ccc(CN3CCNC(C)C3)cc2)c(C)n1
InChIInChI=1S/C21H28N4O/c1-15-5-10-20(17(3)23-15)21(26)24(4)19-8-6-18(7-9-19)14-25-12-11-22-16(2)13-25/h5-10,16,22H,11-14H2,1-4H3
InChIKeySKEFIHPVVDGWRU-UHFFFAOYSA-N
XLogP2.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-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,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 143600558) is N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)N(C)c2ccc(CN3CCNC(C)C3)cc2)c(C)n1.
What is the InChIKey of N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is SKEFIHPVVDGWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-5-10-20(17(3)23-15)21(26)24(4)19-8-6-18(7-9-19)14-25-12-11-22-16(2)13-25/h5-10,16,22H,11-14H2,1-4H3.
What are the key properties of N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 143600558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).