N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide

C23H27N5O3 — CID 169148724

IUPACN-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OCCCN2CCCC(c3nc4ccccc4c(=O)[nH]3)C2)cn1
InChIInChI=1S/C23H27N5O3/c1-24-23(30)20-10-9-17(14-25-20)31-13-5-12-28-11-4-6-16(15-28)21-26-19-8-3-2-7-18(19)22(29)27-21/h2-3,7-10,14,16H,4-6,11-13,15H2,1H3,(H,24,30)(H,26,27,29)
InChIKeyZWHVLOBWLYYSRN-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.33
Rot. Bonds7

About N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide

N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide (PubChem CID 169148724) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
PubChem CID169148724
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OCCCN2CCCC(c3nc4ccccc4c(=O)[nH]3)C2)cn1
InChIInChI=1S/C23H27N5O3/c1-24-23(30)20-10-9-17(14-25-20)31-13-5-12-28-11-4-6-16(15-28)21-26-19-8-3-2-7-18(19)22(29)27-21/h2-3,7-10,14,16H,4-6,11-13,15H2,1H3,(H,24,30)(H,26,27,29)
InChIKeyZWHVLOBWLYYSRN-UHFFFAOYSA-N
XLogP2.33
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]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-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
CID 169149219
N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide
CID 169149009
methanethiol;N-methyl-5-[methyl-[2-[3-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide;N-methyl-5-[2-[3-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]ethoxy]pyridine-2-carboxamide
CID 169148602
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide
CID 169148545
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
CID 46692363
2-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563572
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
CID 11524620
5-[(3R)-1-[2-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)ethyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide
CID 177254531
7-(methoxymethyl)-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3H-quinazolin-4-one
CID 172780847

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide (CID 169148724) is N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide is CNC(=O)c1ccc(OCCCN2CCCC(c3nc4ccccc4c(=O)[nH]3)C2)cn1.
What is the InChIKey of N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
The InChIKey is ZWHVLOBWLYYSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-24-23(30)20-10-9-17(14-25-20)31-13-5-12-28-11-4-6-16(15-28)21-26-19-8-3-2-7-18(19)22(29)27-21/h2-3,7-10,14,16H,4-6,11-13,15H2,1H3,(H,24,30)(H,26,27,29).
What are the key properties of N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide is sourced from PubChem (CID 169148724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).