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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2R)-N-[3-[6-[(1R)-1-deuterio-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556491
7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
CID 167189107
N-[3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
CID 167188310
cis-(1R,2R)-N-[4-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997980
7-chloro-3-[6-(1-deuterio-1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
CID 171556464
cis-(1R,2R)-2-fluoro-N-[3-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123775
N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123608
cis-(1S,2S)-2-fluoro-N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123711
N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 171556431
(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123829
N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123675
cis-(1S,2S)-2-fluoro-N-[4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170968422

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).