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

C23H27N5O3 — CID 169149219

IUPACN-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OCCCN2CCC(c3nc4ccccc4c(=O)[nH]3)CC2)cn1
InChIInChI=1S/C23H27N5O3/c1-24-23(30)20-8-7-17(15-25-20)31-14-4-11-28-12-9-16(10-13-28)21-26-19-6-3-2-5-18(19)22(29)27-21/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,30)(H,26,27,29)
InChIKeyBZBYNOYMPBDEBK-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.33
Rot. Bonds7

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

N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide (PubChem CID 169149219) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
PubChem CID169149219
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OCCCN2CCC(c3nc4ccccc4c(=O)[nH]3)CC2)cn1
InChIInChI=1S/C23H27N5O3/c1-24-23(30)20-8-7-17(15-25-20)31-14-4-11-28-12-9-16(10-13-28)21-26-19-6-3-2-5-18(19)22(29)27-21/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,30)(H,26,27,29)
InChIKeyBZBYNOYMPBDEBK-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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide (CID 169149219) is N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide is CNC(=O)c1ccc(OCCCN2CCC(c3nc4ccccc4c(=O)[nH]3)CC2)cn1.
What is the InChIKey of N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
The InChIKey is BZBYNOYMPBDEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-24-23(30)20-8-7-17(15-25-20)31-14-4-11-28-12-9-16(10-13-28)21-26-19-6-3-2-5-18(19)22(29)27-21/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,30)(H,26,27,29).
What are the key properties of N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide?
N-methyl-5-[3-[4-(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-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide is sourced from PubChem (CID 169149219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).