N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide

C21H24N4O3 — CID 171556549

IUPACN-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide
SMILES[2H]C(O)(CCC)c1cc(C)c(-c2cc3cnc(NC(C)=O)cc3n(C)c2=O)cn1
InChIInChI=1S/C21H24N4O3/c1-5-6-19(27)17-7-12(2)16(11-22-17)15-8-14-10-23-20(24-13(3)26)9-18(14)25(4)21(15)28/h7-11,19,27H,5-6H2,1-4H3,(H,23,24,26)/i19D
InChIKeyBHXZZJBAFSWSPS-YUIGOLOMSA-N
MW381.45 g/mol
LogP3.10
Rot. Bonds5

About N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide

N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide (PubChem CID 171556549) has the molecular formula C21H24N4O3 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide
PubChem CID171556549
Molecular FormulaC21H24N4O3
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide
SMILES[2H]C(O)(CCC)c1cc(C)c(-c2cc3cnc(NC(C)=O)cc3n(C)c2=O)cn1
InChIInChI=1S/C21H24N4O3/c1-5-6-19(27)17-7-12(2)16(11-22-17)15-8-14-10-23-20(24-13(3)26)9-18(14)25(4)21(15)28/h7-11,19,27H,5-6H2,1-4H3,(H,23,24,26)/i19D
InChIKeyBHXZZJBAFSWSPS-YUIGOLOMSA-N
XLogP3.10
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide (CID 171556549) is N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide is [2H]C(O)(CCC)c1cc(C)c(-c2cc3cnc(NC(C)=O)cc3n(C)c2=O)cn1.
What is the InChIKey of N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is BHXZZJBAFSWSPS-YUIGOLOMSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-6-19(27)17-7-12(2)16(11-22-17)15-8-14-10-23-20(24-13(3)26)9-18(14)25(4)21(15)28/h7-11,19,27H,5-6H2,1-4H3,(H,23,24,26)/i19D.
What are the key properties of N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide?
N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 171556549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).