N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H24N6O3 — CID 167845057

IUPACN-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCN(CC3=CC4=NC(=O)c5ccoc5C4N=C3)CC2)cn1
InChIInChI=1S/C24H24N6O3/c31-23-18-5-10-33-22(18)21-20(28-23)11-15(12-26-21)14-29-6-8-30(9-7-29)17-3-4-19(25-13-17)24(32)27-16-1-2-16/h3-5,10-13,16,21H,1-2,6-9,14H2,(H,27,32)
InChIKeyZYICUIQOMKIHQG-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.04
Rot. Bonds5

About N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 167845057) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID167845057
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCN(CC3=CC4=NC(=O)c5ccoc5C4N=C3)CC2)cn1
InChIInChI=1S/C24H24N6O3/c31-23-18-5-10-33-22(18)21-20(28-23)11-15(12-26-21)14-29-6-8-30(9-7-29)17-3-4-19(25-13-17)24(32)27-16-1-2-16/h3-5,10-13,16,21H,1-2,6-9,14H2,(H,27,32)
InChIKeyZYICUIQOMKIHQG-UHFFFAOYSA-N
XLogP2.04
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 167845057) is N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is O=C(NC1CC1)c1ccc(N2CCN(CC3=CC4=NC(=O)c5ccoc5C4N=C3)CC2)cn1.
What is the InChIKey of N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZYICUIQOMKIHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c31-23-18-5-10-33-22(18)21-20(28-23)11-15(12-26-21)14-29-6-8-30(9-7-29)17-3-4-19(25-13-17)24(32)27-16-1-2-16/h3-5,10-13,16,21H,1-2,6-9,14H2,(H,27,32).
What are the key properties of N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-[(4-oxo-9aH-furo[3,2-c][1,5]naphthyridin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167845057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).