N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide

C25H31N7O3 — CID 167845031

IUPACN-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)N5CCOCC5)nc4)CC3)=CC2=NC1=O
InChIInChI=1S/C25H31N7O3/c1-2-19-14-21-22(28-24(19)33)13-18(15-26-21)17-30-5-7-31(8-6-30)20-3-4-23(27-16-20)29-25(34)32-9-11-35-12-10-32/h3-4,13-16,21H,2,5-12,17H2,1H3,(H,27,29,34)
InChIKeyPHQQBKSUADHWGA-UHFFFAOYSA-N
MW477.57 g/mol
LogP1.76
Rot. Bonds5

About N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide

N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 167845031) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID167845031
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC NameN-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)N5CCOCC5)nc4)CC3)=CC2=NC1=O
InChIInChI=1S/C25H31N7O3/c1-2-19-14-21-22(28-24(19)33)13-18(15-26-21)17-30-5-7-31(8-6-30)20-3-4-23(27-16-20)29-25(34)32-9-11-35-12-10-32/h3-4,13-16,21H,2,5-12,17H2,1H3,(H,27,29,34)
InChIKeyPHQQBKSUADHWGA-UHFFFAOYSA-N
XLogP1.76
TPSA102.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide (CID 167845031) is N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)N5CCOCC5)nc4)CC3)=CC2=NC1=O.
What is the InChIKey of N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is PHQQBKSUADHWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-2-19-14-21-22(28-24(19)33)13-18(15-26-21)17-30-5-7-31(8-6-30)20-3-4-23(27-16-20)29-25(34)32-9-11-35-12-10-32/h3-4,13-16,21H,2,5-12,17H2,1H3,(H,27,29,34).
What are the key properties of N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide?
N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 167845031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).