2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid

C24H26N4O3 — CID 176990713

IUPAC2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1cc(CCN[C@H](c2ccccc2)[C@H]2CNc3cccnc3C2)ccn1
InChIInChI=1S/C24H26N4O3/c29-23(30)16-31-22-13-17(8-11-26-22)9-12-27-24(18-5-2-1-3-6-18)19-14-21-20(28-15-19)7-4-10-25-21/h1-8,10-11,13,19,24,27-28H,9,12,14-16H2,(H,29,30)/t19-,24-/m1/s1
InChIKeySFDAHIUMXWKBNU-NTKDMRAZSA-N
MW418.50 g/mol
LogP3.10
Rot. Bonds9

About 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid

2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid (PubChem CID 176990713) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid
PubChem CID176990713
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1cc(CCN[C@H](c2ccccc2)[C@H]2CNc3cccnc3C2)ccn1
InChIInChI=1S/C24H26N4O3/c29-23(30)16-31-22-13-17(8-11-26-22)9-12-27-24(18-5-2-1-3-6-18)19-14-21-20(28-15-19)7-4-10-25-21/h1-8,10-11,13,19,24,27-28H,9,12,14-16H2,(H,29,30)/t19-,24-/m1/s1
InChIKeySFDAHIUMXWKBNU-NTKDMRAZSA-N
XLogP3.10
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate
CID 176990679
(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 176990733
2-[2-fluoro-5-[1-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]propan-2-yl]phenyl]-2-methylpropanoic acid
CID 176990702
2-[3-fluoro-5-[(2S)-1-[[(S)-[(3S)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]propan-2-yl]phenyl]acetic acid
CID 176990759
4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile
CID 176990480
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 86995980
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid (CID 176990713) is 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid is O=C(O)COc1cc(CCN[C@H](c2ccccc2)[C@H]2CNc3cccnc3C2)ccn1.
What is the InChIKey of 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid?
The InChIKey is SFDAHIUMXWKBNU-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(30)16-31-22-13-17(8-11-26-22)9-12-27-24(18-5-2-1-3-6-18)19-14-21-20(28-15-19)7-4-10-25-21/h1-8,10-11,13,19,24,27-28H,9,12,14-16H2,(H,29,30)/t19-,24-/m1/s1.
What are the key properties of 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid?
2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid has a molecular weight of 418.50 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 176990713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).