N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide

C20H27N5O2 — CID 11603119

IUPACN-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-27-19-9-6-8-18(23-19)25-15-13-24(14-16-25)12-5-4-11-22-20(26)17-7-2-3-10-21-17/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
InChIKeyCXYBQVQGXXMVAP-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.82
Rot. Bonds8

About N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide

N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide (PubChem CID 11603119) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
PubChem CID11603119
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-27-19-9-6-8-18(23-19)25-15-13-24(14-16-25)12-5-4-11-22-20(26)17-7-2-3-10-21-17/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
InChIKeyCXYBQVQGXXMVAP-UHFFFAOYSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-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

Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547584
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
N3-(4-Methoxybenzoyl)-N2-[1-(4-pyridyl)-piperidin-4-ylmethyl]-2,3-pyridinediamine
CID 9825165
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11501253
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11501537
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11639248
2-Amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 52949940
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyridine-2-carboxamide
CID 60198048

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide (CID 11603119) is N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide is COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1.
What is the InChIKey of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
The InChIKey is CXYBQVQGXXMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-27-19-9-6-8-18(23-19)25-15-13-24(14-16-25)12-5-4-11-22-20(26)17-7-2-3-10-21-17/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26).
What are the key properties of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide is sourced from PubChem (CID 11603119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).