N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide

C15H19N5O2 — CID 155965365

IUPACN-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESNCCc1ocnc1CNC(=O)c1cnc2c(c1)CCNC2
InChIInChI=1S/C15H19N5O2/c16-3-1-14-13(20-9-22-14)8-19-15(21)11-5-10-2-4-17-7-12(10)18-6-11/h5-6,9,17H,1-4,7-8,16H2,(H,19,21)
InChIKeyADQLOJHRFXBUBS-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.15
Rot. Bonds5

About N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide

N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (PubChem CID 155965365) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
PubChem CID155965365
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESNCCc1ocnc1CNC(=O)c1cnc2c(c1)CCNC2
InChIInChI=1S/C15H19N5O2/c16-3-1-14-13(20-9-22-14)8-19-15(21)11-5-10-2-4-17-7-12(10)18-6-11/h5-6,9,17H,1-4,7-8,16H2,(H,19,21)
InChIKeyADQLOJHRFXBUBS-UHFFFAOYSA-N
XLogP0.15
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (CID 155965365) is N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is NCCc1ocnc1CNC(=O)c1cnc2c(c1)CCNC2.
What is the InChIKey of N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The InChIKey is ADQLOJHRFXBUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-3-1-14-13(20-9-22-14)8-19-15(21)11-5-10-2-4-17-7-12(10)18-6-11/h5-6,9,17H,1-4,7-8,16H2,(H,19,21).
What are the key properties of N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-aminoethyl)-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 155965365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).