5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide

C18H26N4O — CID 166295535

IUPAC5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide
SMILESNC1CC2(C1)CC2C(=O)NCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H26N4O/c19-13-9-18(10-13)11-15(18)17(23)21-8-2-4-14-6-5-12-3-1-7-20-16(12)22-14/h5-6,13,15H,1-4,7-11,19H2,(H,20,22)(H,21,23)
InChIKeyXCKBBPXWMHBXPI-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.62
Rot. Bonds5

About 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide

5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide (PubChem CID 166295535) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide
PubChem CID166295535
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide
SMILESNC1CC2(C1)CC2C(=O)NCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H26N4O/c19-13-9-18(10-13)11-15(18)17(23)21-8-2-4-14-6-5-12-3-1-7-20-16(12)22-14/h5-6,13,15H,1-4,7-11,19H2,(H,20,22)(H,21,23)
InChIKeyXCKBBPXWMHBXPI-UHFFFAOYSA-N
XLogP1.62
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 135312433
(2S)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoic acid
CID 142419026
2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 135317929
trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide
CID 166289019
3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid
CID 142348303
1-(cyclopropylmethyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590224
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46207749
ethyl 2-phenyl-2-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetate
CID 135312363
(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157493143
fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate
CID 142419000
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide (CID 166295535) is 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide is NC1CC2(C1)CC2C(=O)NCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide?
The InChIKey is XCKBBPXWMHBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c19-13-9-18(10-13)11-15(18)17(23)21-8-2-4-14-6-5-12-3-1-7-20-16(12)22-14/h5-6,13,15H,1-4,7-11,19H2,(H,20,22)(H,21,23).
What are the key properties of 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide?
5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 166295535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).