N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

C16H20N4O — CID 11529314

IUPACN-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(NC[C@@H]1CCN2CCC[C@@H]12)c1cccn2ccnc12
InChIInChI=1S/C16H20N4O/c21-16(13-3-1-8-20-10-6-17-15(13)20)18-11-12-5-9-19-7-2-4-14(12)19/h1,3,6,8,10,12,14H,2,4-5,7,9,11H2,(H,18,21)/t12-,14-/m0/s1
InChIKeyVOQXWJLOFPGUHP-JSGCOSHPSA-N
MW284.36 g/mol
LogP1.55
Rot. Bonds3

About N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 11529314) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID11529314
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(NC[C@@H]1CCN2CCC[C@@H]12)c1cccn2ccnc12
InChIInChI=1S/C16H20N4O/c21-16(13-3-1-8-20-10-6-17-15(13)20)18-11-12-5-9-19-7-2-4-14(12)19/h1,3,6,8,10,12,14H,2,4-5,7,9,11H2,(H,18,21)/t12-,14-/m0/s1
InChIKeyVOQXWJLOFPGUHP-JSGCOSHPSA-N
XLogP1.55
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 11529314) is N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is O=C(NC[C@@H]1CCN2CCC[C@@H]12)c1cccn2ccnc12.
What is the InChIKey of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is VOQXWJLOFPGUHP-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(13-3-1-8-20-10-6-17-15(13)20)18-11-12-5-9-19-7-2-4-14(12)19/h1,3,6,8,10,12,14H,2,4-5,7,9,11H2,(H,18,21)/t12-,14-/m0/s1.
What are the key properties of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 11529314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).