1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile

C16H17N5O — CID 171100601

IUPAC1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(-c2ccc(N[C@H]3CC[C@H](N)C3)nc2)c1=O
InChIInChI=1S/C16H17N5O/c17-9-11-2-1-7-21(16(11)22)14-5-6-15(19-10-14)20-13-4-3-12(18)8-13/h1-2,5-7,10,12-13H,3-4,8,18H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyICVRBVLGSLXCOP-STQMWFEESA-N
MW295.35 g/mol
LogP1.40
Rot. Bonds3

About 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile

1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile (PubChem CID 171100601) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile
PubChem CID171100601
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(-c2ccc(N[C@H]3CC[C@H](N)C3)nc2)c1=O
InChIInChI=1S/C16H17N5O/c17-9-11-2-1-7-21(16(11)22)14-5-6-15(19-10-14)20-13-4-3-12(18)8-13/h1-2,5-7,10,12-13H,3-4,8,18H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyICVRBVLGSLXCOP-STQMWFEESA-N
XLogP1.40
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile (CID 171100601) is 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile is N#Cc1cccn(-c2ccc(N[C@H]3CC[C@H](N)C3)nc2)c1=O.
What is the InChIKey of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is ICVRBVLGSLXCOP-STQMWFEESA-N. The full InChI is InChI=1S/C16H17N5O/c17-9-11-2-1-7-21(16(11)22)14-5-6-15(19-10-14)20-13-4-3-12(18)8-13/h1-2,5-7,10,12-13H,3-4,8,18H2,(H,19,20)/t12-,13-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile?
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 171100601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).