2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine

C27H38N4O4 — CID 171833068

IUPAC2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine
SMILESCc1cccc(C2(C)CC2)n1.O=CNC(CCOCCCCc1ccc2c(n1)NCCC2)C(=O)O
InChIInChI=1S/C17H25N3O4.C10H13N/c21-12-19-15(17(22)23)8-11-24-10-2-1-5-14-7-6-13-4-3-9-18-16(13)20-14;1-8-4-3-5-9(11-8)10(2)6-7-10/h6-7,12,15H,1-5,8-11H2,(H,18,20)(H,19,21)(H,22,23);3-5H,6-7H2,1-2H3
InChIKeyPHAOLXAZLKTVTH-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.81
Rot. Bonds12

About 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine

2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine (PubChem CID 171833068) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine.

Molecular Properties

Compound Name2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine
PubChem CID171833068
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine
SMILESCc1cccc(C2(C)CC2)n1.O=CNC(CCOCCCCc1ccc2c(n1)NCCC2)C(=O)O
InChIInChI=1S/C17H25N3O4.C10H13N/c21-12-19-15(17(22)23)8-11-24-10-2-1-5-14-7-6-13-4-3-9-18-16(13)20-14;1-8-4-3-5-9(11-8)10(2)6-7-10/h6-7,12,15H,1-5,8-11H2,(H,18,20)(H,19,21)(H,22,23);3-5H,6-7H2,1-2H3
InChIKeyPHAOLXAZLKTVTH-UHFFFAOYSA-N
XLogP3.81
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(6-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 171832947
[1-carboxy-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]propyl]azanide;yttrium
CID 171833196
N-[2-hydroxy-5-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pent-1-en-3-yl]acetamide
CID 174333314
2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 146462788
(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 146462629
2-[[(Z)-2-anilino-4-(methylamino)but-2-enoyl]amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 174336730
(2S)-2-[[1-(5-chloro-3-methylimidazol-4-yl)cyclopropanecarbonyl]amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 171833120
2-[[1-(2-cyano-6-methoxyphenyl)cyclopropanecarbonyl]amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 171833094
2-[(1-phenylazet-1-ium-2-carbonyl)amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 171833006
2-[(3-chloro-5-fluoro-4-pyridinyl)methylamino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 175195579
2-[[1-(5-cyano-3-pyridinyl)cyclopropanecarbonyl]amino]-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid
CID 171833257
4-[2-(fluoromethyl)butyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoic acid
CID 176962046

Frequently Asked Questions

What is the IUPAC name of 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine?
The IUPAC name of 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine (CID 171833068) is 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine.
What is the SMILES notation for 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine?
The canonical SMILES for 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine is Cc1cccc(C2(C)CC2)n1.O=CNC(CCOCCCCc1ccc2c(n1)NCCC2)C(=O)O.
What is the InChIKey of 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine?
The InChIKey is PHAOLXAZLKTVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.C10H13N/c21-12-19-15(17(22)23)8-11-24-10-2-1-5-14-7-6-13-4-3-9-18-16(13)20-14;1-8-4-3-5-9(11-8)10(2)6-7-10/h6-7,12,15H,1-5,8-11H2,(H,18,20)(H,19,21)(H,22,23);3-5H,6-7H2,1-2H3.
What are the key properties of 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine?
2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine has a molecular weight of 482.63 g/mol, XLogP of 3.81, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]butanoic acid;2-methyl-6-(1-methylcyclopropyl)pyridine is sourced from PubChem (CID 171833068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).