N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H30N6O2 — CID 171444818

IUPACN,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)N(C)C43CC3)CC2)c(C)n1
InChIInChI=1S/C24H30N6O2/c1-16-21(7-6-19(26-16)22(31)25-2)30-12-10-29(11-13-30)15-17-4-5-18-20(14-17)27-23(32)28(3)24(18)8-9-24/h4-7,14H,8-13,15H2,1-3H3,(H,25,31)(H,27,32)
InChIKeyZXAXODQEGNYSGW-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.54
Rot. Bonds4

About N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 171444818) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID171444818
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)N(C)C43CC3)CC2)c(C)n1
InChIInChI=1S/C24H30N6O2/c1-16-21(7-6-19(26-16)22(31)25-2)30-12-10-29(11-13-30)15-17-4-5-18-20(14-17)27-23(32)28(3)24(18)8-9-24/h4-7,14H,8-13,15H2,1-3H3,(H,25,31)(H,27,32)
InChIKeyZXAXODQEGNYSGW-UHFFFAOYSA-N
XLogP2.54
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 171444818) is N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)N(C)C43CC3)CC2)c(C)n1.
What is the InChIKey of N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZXAXODQEGNYSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-21(7-6-19(26-16)22(31)25-2)30-12-10-29(11-13-30)15-17-4-5-18-20(14-17)27-23(32)28(3)24(18)8-9-24/h4-7,14H,8-13,15H2,1-3H3,(H,25,31)(H,27,32).
What are the key properties of N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171444818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).