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

C16H17N5O — CID 178129218

IUPAC1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile
SMILESN#Cc1cccc(=O)n1-c1ccc(N[C@H]2CC[C@H](N)C2)nc1
InChIInChI=1S/C16H17N5O/c17-9-13-2-1-3-16(22)21(13)14-6-7-15(19-10-14)20-12-5-4-11(18)8-12/h1-3,6-7,10-12H,4-5,8,18H2,(H,19,20)/t11-,12-/m0/s1
InChIKeyYLFVVFSBMNTQGC-RYUDHWBXSA-N
MW295.35 g/mol
LogP1.40
Rot. Bonds3

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

1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile (PubChem CID 178129218) 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]-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile
PubChem CID178129218
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile
SMILESN#Cc1cccc(=O)n1-c1ccc(N[C@H]2CC[C@H](N)C2)nc1
InChIInChI=1S/C16H17N5O/c17-9-13-2-1-3-16(22)21(13)14-6-7-15(19-10-14)20-12-5-4-11(18)8-12/h1-3,6-7,10-12H,4-5,8,18H2,(H,19,20)/t11-,12-/m0/s1
InChIKeyYLFVVFSBMNTQGC-RYUDHWBXSA-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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Related Compounds

Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
3H,4H-pyrido(2,3-b)pyrazin-3-one
CID 20360823
1-{2-[2-(Pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 10912691
6-{3-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-propylamino}-nicotinonitrile
CID 11809137
(2S,4S)-4-Fluoro-1-{N-[2-(pyridin-2-ylamino)ethyl]-glycyl}pyrrolidine-2-carbonitrile
CID 44560250
US11248001, Example 493
CID 154653640
US11248001, Example 454
CID 154653820

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile?
The IUPAC name of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile (CID 178129218) is 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile?
The canonical SMILES for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile is N#Cc1cccc(=O)n1-c1ccc(N[C@H]2CC[C@H](N)C2)nc1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile?
The InChIKey is YLFVVFSBMNTQGC-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H17N5O/c17-9-13-2-1-3-16(22)21(13)14-6-7-15(19-10-14)20-12-5-4-11(18)8-12/h1-3,6-7,10-12H,4-5,8,18H2,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile?
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-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]-6-oxopyridine-2-carbonitrile is sourced from PubChem (CID 178129218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).