5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile

C14H19N5 — CID 103468867

IUPAC5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2CCN3CCCC3C2)c(N)c1
InChIInChI=1S/C14H19N5/c15-8-10-6-13(16)14(17-9-10)18-11-3-5-19-4-1-2-12(19)7-11/h6,9,11-12H,1-5,7,16H2,(H,17,18)
InChIKeyNNAVMASMMXKNDC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.57
Rot. Bonds2

About 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile

5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile (PubChem CID 103468867) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile
PubChem CID103468867
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2CCN3CCCC3C2)c(N)c1
InChIInChI=1S/C14H19N5/c15-8-10-6-13(16)14(17-9-10)18-11-3-5-19-4-1-2-12(19)7-11/h6,9,11-12H,1-5,7,16H2,(H,17,18)
InChIKeyNNAVMASMMXKNDC-UHFFFAOYSA-N
XLogP1.57
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile with MolForge

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Related Compounds

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid
CID 114214557
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731945
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
CID 102809339
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methylbenzene-1,2-diamine
CID 113333804
5-amino-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carbonitrile
CID 103468392
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(4-cyanophenyl)urea
CID 97311576
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile (CID 103468867) is 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile is N#Cc1cnc(NC2CCN3CCCC3C2)c(N)c1.
What is the InChIKey of 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile?
The InChIKey is NNAVMASMMXKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-8-10-6-13(16)14(17-9-10)18-11-3-5-19-4-1-2-12(19)7-11/h6,9,11-12H,1-5,7,16H2,(H,17,18).
What are the key properties of 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile?
5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103468867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).