(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C18H21N3O3 — CID 125168667

IUPAC(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCc1ccn2cc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)nc2c1
InChIInChI=1S/C18H21N3O3/c1-12-4-7-21-11-13(20-15(21)8-12)10-19-17(23)14-9-16(22)24-18(14)5-2-3-6-18/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyQMNLRCPDWWIRHL-CQSZACIVSA-N
MW327.38 g/mol
LogP2.13
Rot. Bonds3

About (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 125168667) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID125168667
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCc1ccn2cc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)nc2c1
InChIInChI=1S/C18H21N3O3/c1-12-4-7-21-11-13(20-15(21)8-12)10-19-17(23)14-9-16(22)24-18(14)5-2-3-6-18/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyQMNLRCPDWWIRHL-CQSZACIVSA-N
XLogP2.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 125168667) is (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is Cc1ccn2cc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)nc2c1.
What is the InChIKey of (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is QMNLRCPDWWIRHL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-7-21-11-13(20-15(21)8-12)10-19-17(23)14-9-16(22)24-18(14)5-2-3-6-18/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 125168667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).