N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C27H25N5O4 — CID 177212893

IUPACN-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(C#Cc2ccc(N3C[C@]4(CCOC4)OCC3=O)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C27H25N5O4/c1-17-23-13-30-24(31-26(34)18-2-3-18)10-22(23)19(11-28-17)4-5-20-6-7-21(12-29-20)32-15-27(8-9-35-16-27)36-14-25(32)33/h6-7,10-13,18H,2-3,8-9,14-16H2,1H3,(H,30,31,34)/t27-/m0/s1
InChIKeyCPQJMIZJCAWMOY-MHZLTWQESA-N
MW483.53 g/mol
LogP2.60
Rot. Bonds3

About N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177212893) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID177212893
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC NameN-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(C#Cc2ccc(N3C[C@]4(CCOC4)OCC3=O)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C27H25N5O4/c1-17-23-13-30-24(31-26(34)18-2-3-18)10-22(23)19(11-28-17)4-5-20-6-7-21(12-29-20)32-15-27(8-9-35-16-27)36-14-25(32)33/h6-7,10-13,18H,2-3,8-9,14-16H2,1H3,(H,30,31,34)/t27-/m0/s1
InChIKeyCPQJMIZJCAWMOY-MHZLTWQESA-N
XLogP2.60
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177212893) is N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ncc(C#Cc2ccc(N3C[C@]4(CCOC4)OCC3=O)cn2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is CPQJMIZJCAWMOY-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25N5O4/c1-17-23-13-30-24(31-26(34)18-2-3-18)10-22(23)19(11-28-17)4-5-20-6-7-21(12-29-20)32-15-27(8-9-35-16-27)36-14-25(32)33/h6-7,10-13,18H,2-3,8-9,14-16H2,1H3,(H,30,31,34)/t27-/m0/s1.
What are the key properties of N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177212893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).