N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide

C22H27N5O — CID 90319300

IUPACN-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCCCCNc1ncnc2ccccc12)c1cccnc1
InChIInChI=1S/C22H27N5O/c28-22(18-10-9-13-23-16-18)25-15-8-4-2-1-3-7-14-24-21-19-11-5-6-12-20(19)26-17-27-21/h5-6,9-13,16-17H,1-4,7-8,14-15H2,(H,25,28)(H,24,26,27)
InChIKeyADZZHESKAHSNJJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.21
Rot. Bonds11

About N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide

N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide (PubChem CID 90319300) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide
PubChem CID90319300
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCCCCNc1ncnc2ccccc12)c1cccnc1
InChIInChI=1S/C22H27N5O/c28-22(18-10-9-13-23-16-18)25-15-8-4-2-1-3-7-14-24-21-19-11-5-6-12-20(19)26-17-27-21/h5-6,9-13,16-17H,1-4,7-8,14-15H2,(H,25,28)(H,24,26,27)
InChIKeyADZZHESKAHSNJJ-UHFFFAOYSA-N
XLogP4.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[8-(quinazolin-4-ylamino)octyl]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

Related Compounds

N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
CID 110436285
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
CID 110436139
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894

Frequently Asked Questions

What is the IUPAC name of N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide?
The IUPAC name of N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide (CID 90319300) is N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide?
The canonical SMILES for N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide is O=C(NCCCCCCCCNc1ncnc2ccccc12)c1cccnc1.
What is the InChIKey of N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide?
The InChIKey is ADZZHESKAHSNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c28-22(18-10-9-13-23-16-18)25-15-8-4-2-1-3-7-14-24-21-19-11-5-6-12-20(19)26-17-27-21/h5-6,9-13,16-17H,1-4,7-8,14-15H2,(H,25,28)(H,24,26,27).
What are the key properties of N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide?
N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide is sourced from PubChem (CID 90319300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).