2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid

C19H25N3O3 — CID 70718159

IUPAC2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)c1
InChIInChI=1S/C19H25N3O3/c23-17-4-7-19(13-22(17)11-14-2-3-14)6-1-9-21(12-19)16-10-15(18(24)25)5-8-20-16/h5,8,10,14H,1-4,6-7,9,11-13H2,(H,24,25)
InChIKeyOYVCDWFTUJTPDJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.40
Rot. Bonds4

About 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid

2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid (PubChem CID 70718159) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
PubChem CID70718159
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)c1
InChIInChI=1S/C19H25N3O3/c23-17-4-7-19(13-22(17)11-14-2-3-14)6-1-9-21(12-19)16-10-15(18(24)25)5-8-20-16/h5,8,10,14H,1-4,6-7,9,11-13H2,(H,24,25)
InChIKeyOYVCDWFTUJTPDJ-UHFFFAOYSA-N
XLogP2.40
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid (CID 70718159) is 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)c1.
What is the InChIKey of 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid?
The InChIKey is OYVCDWFTUJTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17-4-7-19(13-22(17)11-14-2-3-14)6-1-9-21(12-19)16-10-15(18(24)25)5-8-20-16/h5,8,10,14H,1-4,6-7,9,11-13H2,(H,24,25).
What are the key properties of 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid?
2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70718159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).