6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid

C24H26ClN5O4 — CID 141277007

IUPAC6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Nc2c(C(=O)O)cnc3cnc(-c4ccc(Cl)nc4)cc23)CC1
InChIInChI=1S/C24H26ClN5O4/c1-24(2,3)34-23(33)30-8-6-15(7-9-30)29-21-16-10-18(14-4-5-20(25)28-11-14)27-13-19(16)26-12-17(21)22(31)32/h4-5,10-13,15H,6-9H2,1-3H3,(H,26,29)(H,31,32)
InChIKeyBYAJFGGRLGVCNL-UHFFFAOYSA-N
MW483.96 g/mol
LogP4.85
Rot. Bonds4

About 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid

6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid (PubChem CID 141277007) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid
PubChem CID141277007
Molecular FormulaC24H26ClN5O4
Molecular Weight483.96 g/mol
Exact Mass483.17
IUPAC Name6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Nc2c(C(=O)O)cnc3cnc(-c4ccc(Cl)nc4)cc23)CC1
InChIInChI=1S/C24H26ClN5O4/c1-24(2,3)34-23(33)30-8-6-15(7-9-30)29-21-16-10-18(14-4-5-20(25)28-11-14)27-13-19(16)26-12-17(21)22(31)32/h4-5,10-13,15H,6-9H2,1-3H3,(H,26,29)(H,31,32)
InChIKeyBYAJFGGRLGVCNL-UHFFFAOYSA-N
XLogP4.85
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxylic acid
CID 155569091
Ethyl 6-(3,5-dichlorophenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156019719
US20250042857, Example B-130
CID 169683236
Methyl 4-(4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-(trifluoromethyl)phenylamino)-6-chloro-1,5-naphthyridine-3-carboxylate
CID 86714221
6-Chloro-4-(3-(trifluoromethyl)phenylamino)-1,5-naphthyridine-3-carboxylic acid
CID 90077540
[4-[[3-Acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-tert-butylcarbamic acid
CID 136927259
Tert-butyl (4-{[3-acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino}cyclohexyl)carbamate
CID 137231119
Methyl 3-chloro-2-(2-fluorophenyl)-7-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,6-naphthyridine-8-carboxylate
CID 157022785
6-chloro-N-methyl-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide;ethyl 6-chloro-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxylate
CID 162235597
8-[3-chloro-4-fluoro-N-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethyl]anilino]-1,5-naphthyridine-2-carboxylic acid
CID 164910415
5-chloro-2-(trifluoromethyl)-1,6-naphthyridine;2-[2-(dimethylamino)ethenyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid;2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 173165327
3-Chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,6-naphthyridine-8-carboxylic acid
CID 174190411

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid (CID 141277007) is 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Nc2c(C(=O)O)cnc3cnc(-c4ccc(Cl)nc4)cc23)CC1.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid?
The InChIKey is BYAJFGGRLGVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c1-24(2,3)34-23(33)30-8-6-15(7-9-30)29-21-16-10-18(14-4-5-20(25)28-11-14)27-13-19(16)26-12-17(21)22(31)32/h4-5,10-13,15H,6-9H2,1-3H3,(H,26,29)(H,31,32).
What are the key properties of 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid?
6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid has a molecular weight of 483.96 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 141277007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).