2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid

C25H31ClN4O5 — CID 146462649

IUPAC2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
SMILESCOc1cncc(Cl)c1C(=O)NC(CCOC1CC(CCc2ccc3c(n2)NCCC3)C1)C(=O)O
InChIInChI=1S/C25H31ClN4O5/c1-34-21-14-27-13-19(26)22(21)24(31)30-20(25(32)33)8-10-35-18-11-15(12-18)4-6-17-7-5-16-3-2-9-28-23(16)29-17/h5,7,13-15,18,20H,2-4,6,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)
InChIKeyYOUKWNQRORFDIC-UHFFFAOYSA-N
MW503.00 g/mol
LogP3.50
Rot. Bonds11

About 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid

2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (PubChem CID 146462649) has the molecular formula C25H31ClN4O5 and a molecular weight of 503.00 g/mol. Its IUPAC name is 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.

Molecular Properties

Compound Name2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
PubChem CID146462649
Molecular FormulaC25H31ClN4O5
Molecular Weight503.00 g/mol
Exact Mass502.20
IUPAC Name2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
SMILESCOc1cncc(Cl)c1C(=O)NC(CCOC1CC(CCc2ccc3c(n2)NCCC3)C1)C(=O)O
InChIInChI=1S/C25H31ClN4O5/c1-34-21-14-27-13-19(26)22(21)24(31)30-20(25(32)33)8-10-35-18-11-15(12-18)4-6-17-7-5-16-3-2-9-28-23(16)29-17/h5,7,13-15,18,20H,2-4,6,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)
InChIKeyYOUKWNQRORFDIC-UHFFFAOYSA-N
XLogP3.50
TPSA122.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.00
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid with MolForge

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Related Compounds

2-[(3-chloro-5-fluoropyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 146462360
(2S)-2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 146462908
2-[(2-chlorobenzoyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 146462286
2-[(3-chloro-2-fluorobenzoyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 146462256
(2S)-2-(pyridine-2-carbonylamino)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 153475025
(2S)-2-(3-methylbutanoylamino)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 153153214
(2S)-2-[(3-chlorobenzoyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 146462612
(2S)-2-[(2,4-dimethyl-6-oxo-1H-pyridine-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 146462300
2-[(3,5-dichloropyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 146192685
(2S)-2-[(3-chloro-5-fluoropyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 160527634
2-[(3,5-dichloropyridine-4-carbonyl)amino]-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 146192683
(2S)-2-[(2,4-dimethyl-6-oxo-1-phenylpyridine-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
CID 146462402

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?
The IUPAC name of 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (CID 146462649) is 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.
What is the SMILES notation for 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?
The canonical SMILES for 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is COc1cncc(Cl)c1C(=O)NC(CCOC1CC(CCc2ccc3c(n2)NCCC3)C1)C(=O)O.
What is the InChIKey of 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?
The InChIKey is YOUKWNQRORFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O5/c1-34-21-14-27-13-19(26)22(21)24(31)30-20(25(32)33)8-10-35-18-11-15(12-18)4-6-17-7-5-16-3-2-9-28-23(16)29-17/h5,7,13-15,18,20H,2-4,6,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?
2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid has a molecular weight of 503.00 g/mol, XLogP of 3.50, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-methoxypyridine-4-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is sourced from PubChem (CID 146462649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).