6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one

C24H27N5O3 — CID 160573717

IUPAC6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one
SMILES[C-]#[N+]c1ccc2c(n1)c(N1CC[C@H](Oc3ccc(OC(C)C)cn3)[C@H](C)C1)cc(=O)n2C
InChIInChI=1S/C24H27N5O3/c1-15(2)31-17-6-9-22(26-13-17)32-20-10-11-29(14-16(20)3)19-12-23(30)28(5)18-7-8-21(25-4)27-24(18)19/h6-9,12-13,15-16,20H,10-11,14H2,1-3,5H3/t16-,20+/m1/s1
InChIKeyRAWIZRKHUMRUMK-UZLBHIALSA-N
MW433.51 g/mol
LogP3.96
Rot. Bonds5

About 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one

6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one (PubChem CID 160573717) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one
PubChem CID160573717
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one
SMILES[C-]#[N+]c1ccc2c(n1)c(N1CC[C@H](Oc3ccc(OC(C)C)cn3)[C@H](C)C1)cc(=O)n2C
InChIInChI=1S/C24H27N5O3/c1-15(2)31-17-6-9-22(26-13-17)32-20-10-11-29(14-16(20)3)19-12-23(30)28(5)18-7-8-21(25-4)27-24(18)19/h6-9,12-13,15-16,20H,10-11,14H2,1-3,5H3/t16-,20+/m1/s1
InChIKeyRAWIZRKHUMRUMK-UZLBHIALSA-N
XLogP3.96
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(3S,4R)-3-ethoxy-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-6-isocyano-1-methyl-1,5-naphthyridin-2-one
CID 160617380
4-[(3S,4S)-3-ethoxy-4-(5-propan-2-yloxypyrazin-2-yl)oxypiperidin-1-yl]-6-isocyano-1-methyl-1,5-naphthyridin-2-one
CID 162031641
8-[(4S)-3-ethyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904324
4-[(2S,5S)-2,5-dimethyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-6-isocyano-1-methylpyrido[3,2-d]pyrimidin-2-one
CID 160619726
5-methyl-8-[(4S)-3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904334
4-[(3S,4S)-3-ethoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-isocyano-1-methyl-1,5-naphthyridin-2-one
CID 159620830
5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904266
5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904275
6-chloro-4-[(5R)-5-ethyl-2-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
CID 156556141
4-[(2S,5R)-4-[1-[2-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-2,5-dimethylpiperazin-1-yl]-6-isocyano-1-methyl-1,5-naphthyridin-2-one
CID 152783751
8-[(3S,4S)-3-ethyl-4-(3-propan-2-ylphenoxy)piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904277
CID 156802014
CID 156802014

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one?
The IUPAC name of 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one (CID 160573717) is 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one?
The canonical SMILES for 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one is [C-]#[N+]c1ccc2c(n1)c(N1CC[C@H](Oc3ccc(OC(C)C)cn3)[C@H](C)C1)cc(=O)n2C.
What is the InChIKey of 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one?
The InChIKey is RAWIZRKHUMRUMK-UZLBHIALSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15(2)31-17-6-9-22(26-13-17)32-20-10-11-29(14-16(20)3)19-12-23(30)28(5)18-7-8-21(25-4)27-24(18)19/h6-9,12-13,15-16,20H,10-11,14H2,1-3,5H3/t16-,20+/m1/s1.
What are the key properties of 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one?
6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 160573717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).