4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide

C27H28N6O2 — CID 139324782

IUPAC4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide
SMILESNc1ccc(-c2ccc(C(=O)NC3CCOCC3)cc2)nc1N(N)Cc1ccc2ncccc2c1
InChIInChI=1S/C27H28N6O2/c28-23-8-10-25(19-4-6-20(7-5-19)27(34)31-22-11-14-35-15-12-22)32-26(23)33(29)17-18-3-9-24-21(16-18)2-1-13-30-24/h1-10,13,16,22H,11-12,14-15,17,28-29H2,(H,31,34)
InChIKeyOGKSLOKIWMRGIT-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.67
Rot. Bonds6

About 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide

4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide (PubChem CID 139324782) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide
PubChem CID139324782
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide
SMILESNc1ccc(-c2ccc(C(=O)NC3CCOCC3)cc2)nc1N(N)Cc1ccc2ncccc2c1
InChIInChI=1S/C27H28N6O2/c28-23-8-10-25(19-4-6-20(7-5-19)27(34)31-22-11-14-35-15-12-22)32-26(23)33(29)17-18-3-9-24-21(16-18)2-1-13-30-24/h1-10,13,16,22H,11-12,14-15,17,28-29H2,(H,31,34)
InChIKeyOGKSLOKIWMRGIT-UHFFFAOYSA-N
XLogP3.67
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-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

2-[amino(quinolin-6-ylmethyl)amino]-6-[3-(methylsulfanylamino)phenyl]pyridin-3-amine
CID 155149925
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948
N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353695
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
2-[amino(quinolin-6-ylmethyl)amino]-6-pyrazol-1-ylpyridin-3-amine
CID 139321591
[2-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-3-azaniumylideneprop-1-enyl]-[2-(oxan-2-yloxy)ethenyl]azanium
CID 163739377
4-[2-[amino-[(4-sulfamoylphenyl)methyl]amino]-4-(2-methylsulfonylethyl)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide
CID 69314190
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
2-[4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]pyrazin-2-yl]pyrazol-1-yl]-N-oxopropanamide;ethane
CID 143578639
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 139324816

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide (CID 139324782) is 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide is Nc1ccc(-c2ccc(C(=O)NC3CCOCC3)cc2)nc1N(N)Cc1ccc2ncccc2c1.
What is the InChIKey of 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide?
The InChIKey is OGKSLOKIWMRGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c28-23-8-10-25(19-4-6-20(7-5-19)27(34)31-22-11-14-35-15-12-22)32-26(23)33(29)17-18-3-9-24-21(16-18)2-1-13-30-24/h1-10,13,16,22H,11-12,14-15,17,28-29H2,(H,31,34).
What are the key properties of 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide?
4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide has a molecular weight of 468.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 139324782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).