N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H26N6O2 — CID 171572901

IUPACN,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3cccc43)CC2)c(C)n1
InChIInChI=1S/C24H26N6O2/c1-16-21(8-7-19(26-16)23(31)25-2)29-12-10-28(11-13-29)15-17-5-6-18-20(14-17)27-24(32)30-9-3-4-22(18)30/h3-9,14H,10-13,15H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyGCYAKZZBZIDGIO-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.17
Rot. Bonds4

About N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 171572901) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID171572901
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3cccc43)CC2)c(C)n1
InChIInChI=1S/C24H26N6O2/c1-16-21(8-7-19(26-16)23(31)25-2)29-12-10-28(11-13-29)15-17-5-6-18-20(14-17)27-24(32)30-9-3-4-22(18)30/h3-9,14H,10-13,15H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyGCYAKZZBZIDGIO-UHFFFAOYSA-N
XLogP2.17
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 171572901) is N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3cccc43)CC2)c(C)n1.
What is the InChIKey of N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is GCYAKZZBZIDGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-21(8-7-19(26-16)23(31)25-2)29-12-10-28(11-13-29)15-17-5-6-18-20(14-17)27-24(32)30-9-3-4-22(18)30/h3-9,14H,10-13,15H2,1-2H3,(H,25,31)(H,27,32).
What are the key properties of N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-[4-[(5-oxo-6H-pyrrolo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171572901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).