propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate

C18H17N3O3 — CID 176885394

IUPACpropan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cnc2ccn(Cc3ccncc3)c(=O)c2c1
InChIInChI=1S/C18H17N3O3/c1-12(2)24-18(23)14-9-15-16(20-10-14)5-8-21(17(15)22)11-13-3-6-19-7-4-13/h3-10,12H,11H2,1-2H3
InChIKeyZTMTVJQGYLBEQV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.40
Rot. Bonds4

About propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate

propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate (PubChem CID 176885394) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate
PubChem CID176885394
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namepropan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cnc2ccn(Cc3ccncc3)c(=O)c2c1
InChIInChI=1S/C18H17N3O3/c1-12(2)24-18(23)14-9-15-16(20-10-14)5-8-21(17(15)22)11-13-3-6-19-7-4-13/h3-10,12H,11H2,1-2H3
InChIKeyZTMTVJQGYLBEQV-UHFFFAOYSA-N
XLogP2.40
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 735009
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CID 99825274
propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate
CID 146137285
N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
CID 87266024
propan-2-yl 3-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 7729770
propan-2-yl 4-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 1193234
propan-2-yl 4-[[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate
CID 40873451
4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
CID 83173873
methyl 5-chloro-2-[(5-oxopyrido[4,3-d]pyrimidin-6-yl)methyl]-1-benzofuran-7-carboxylate
CID 164866738
propan-2-yl 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate
CID 40842673
4-(methoxymethyl)-11-(pyridin-4-ylmethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66504856
4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate (CID 176885394) is propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate is CC(C)OC(=O)c1cnc2ccn(Cc3ccncc3)c(=O)c2c1.
What is the InChIKey of propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate?
The InChIKey is ZTMTVJQGYLBEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(2)24-18(23)14-9-15-16(20-10-14)5-8-21(17(15)22)11-13-3-6-19-7-4-13/h3-10,12H,11H2,1-2H3.
What are the key properties of propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate?
propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-oxo-6-(pyridin-4-ylmethyl)-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 176885394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).