N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide

C24H30F2N4O4 — CID 155883382

IUPACN-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide
SMILESCCOCCOc1ccc(C2CC(=O)NC(c3c(F)ccc(CNC(=O)C(C)C)c3F)N2)cn1
InChIInChI=1S/C24H30F2N4O4/c1-4-33-9-10-34-20-8-6-15(12-27-20)18-11-19(31)30-23(29-18)21-17(25)7-5-16(22(21)26)13-28-24(32)14(2)3/h5-8,12,14,18,23,29H,4,9-11,13H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyINRKXIOCQPIZQW-UHFFFAOYSA-N
MW476.52 g/mol
LogP2.90
Rot. Bonds10

About N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide

N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide (PubChem CID 155883382) has the molecular formula C24H30F2N4O4 and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide
PubChem CID155883382
Molecular FormulaC24H30F2N4O4
Molecular Weight476.52 g/mol
Exact Mass476.22
IUPAC NameN-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide
SMILESCCOCCOc1ccc(C2CC(=O)NC(c3c(F)ccc(CNC(=O)C(C)C)c3F)N2)cn1
InChIInChI=1S/C24H30F2N4O4/c1-4-33-9-10-34-20-8-6-15(12-27-20)18-11-19(31)30-23(29-18)21-17(25)7-5-16(22(21)26)13-28-24(32)14(2)3/h5-8,12,14,18,23,29H,4,9-11,13H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyINRKXIOCQPIZQW-UHFFFAOYSA-N
XLogP2.90
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide (CID 155883382) is N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide is CCOCCOc1ccc(C2CC(=O)NC(c3c(F)ccc(CNC(=O)C(C)C)c3F)N2)cn1.
What is the InChIKey of N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
The InChIKey is INRKXIOCQPIZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O4/c1-4-33-9-10-34-20-8-6-15(12-27-20)18-11-19(31)30-23(29-18)21-17(25)7-5-16(22(21)26)13-28-24(32)14(2)3/h5-8,12,14,18,23,29H,4,9-11,13H2,1-3H3,(H,28,32)(H,30,31).
What are the key properties of N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide has a molecular weight of 476.52 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).