N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide

C26H34N6O — CID 11316795

IUPACN-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
SMILESCCCC(Nc1cncc(-c2ccc(C(=O)NCCCCCN)c(C)c2)n1)c1cccnc1
InChIInChI=1S/C26H34N6O/c1-3-8-23(21-9-7-13-28-16-21)31-25-18-29-17-24(32-25)20-10-11-22(19(2)15-20)26(33)30-14-6-4-5-12-27/h7,9-11,13,15-18,23H,3-6,8,12,14,27H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyMFFALQMXQVXOCC-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.66
Rot. Bonds12

About N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide

N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide (PubChem CID 11316795) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
PubChem CID11316795
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC NameN-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
SMILESCCCC(Nc1cncc(-c2ccc(C(=O)NCCCCCN)c(C)c2)n1)c1cccnc1
InChIInChI=1S/C26H34N6O/c1-3-8-23(21-9-7-13-28-16-21)31-25-18-29-17-24(32-25)20-10-11-22(19(2)15-20)26(33)30-14-6-4-5-12-27/h7,9-11,13,15-18,23H,3-6,8,12,14,27H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyMFFALQMXQVXOCC-UHFFFAOYSA-N
XLogP4.66
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide 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

1-ethyl-3-[2-ethyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea;methane
CID 159365500
1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
CID 58496576
1-[3-(diethylamino)propyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11352655
N-[3-(diethylamino)propyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11167065
N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11304630
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
CID 58496570
1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea
CID 70666374
3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91025277
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
1-ethyl-3-[2-methoxy-4-[4-methyl-6-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
CID 163291094
2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate
CID 157252146

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide?
The IUPAC name of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide (CID 11316795) is N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide?
The canonical SMILES for N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide is CCCC(Nc1cncc(-c2ccc(C(=O)NCCCCCN)c(C)c2)n1)c1cccnc1.
What is the InChIKey of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide?
The InChIKey is MFFALQMXQVXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-3-8-23(21-9-7-13-28-16-21)31-25-18-29-17-24(32-25)20-10-11-22(19(2)15-20)26(33)30-14-6-4-5-12-27/h7,9-11,13,15-18,23H,3-6,8,12,14,27H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide?
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.66, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide is sourced from PubChem (CID 11316795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).