lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate

C19H18LiN7O3 — CID 171756462

IUPAClithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate
SMILESO=C([O-])c1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nn1.[Li+]
InChIInChI=1S/C19H19N7O3.Li/c27-17-3-1-2-8-26(17)14-6-7-16(20-10-14)22-12-4-5-13(9-12)23-19-21-11-15(18(28)29)24-25-19;/h1-3,6-8,10-13H,4-5,9H2,(H,20,22)(H,28,29)(H,21,23,25);/q;+1/p-1/t12-,13-;/m0./s1
InChIKeyULNDZNNQXUNEAA-QNTKWALQSA-M
MW399.34 g/mol
LogP-2.77
Rot. Bonds6

About lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate

lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate (PubChem CID 171756462) has the molecular formula C19H18LiN7O3 and a molecular weight of 399.34 g/mol. Its IUPAC name is lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate.

Molecular Properties

Compound Namelithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate
PubChem CID171756462
Molecular FormulaC19H18LiN7O3
Molecular Weight399.34 g/mol
Exact Mass399.16
IUPAC Namelithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate
SMILESO=C([O-])c1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nn1.[Li+]
InChIInChI=1S/C19H19N7O3.Li/c27-17-3-1-2-8-26(17)14-6-7-16(20-10-14)22-12-4-5-13(9-12)23-19-21-11-15(18(28)29)24-25-19;/h1-3,6-8,10-13H,4-5,9H2,(H,20,22)(H,28,29)(H,21,23,25);/q;+1/p-1/t12-,13-;/m0./s1
InChIKeyULNDZNNQXUNEAA-QNTKWALQSA-M
XLogP-2.77
TPSA137.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[[(1S,3S)-3-[(5-cyclopropyl-1,2,4-thiadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171512409
1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one
CID 167167371
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100937
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100697
1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171767402
1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171767458
1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one
CID 177336126
4-[2-hydroxy-2-[2-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]pyrimidin-5-yl]ethyl]-2-[6-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]-3-pyridinyl]pyridazin-3-one
CID 155003173
1-[4-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]phenyl]pyridin-2-one
CID 154653858
1-[2-[[(1S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-4-pyridinyl]pyridin-2-one
CID 154653598
1-[6-[[(1R,2Z,4S)-2-(2-aminoethylidene)-4-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 174305322
1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
CID 155114690

Frequently Asked Questions

What is the IUPAC name of lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate?
The IUPAC name of lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate (CID 171756462) is lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate.
What is the SMILES notation for lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate?
The canonical SMILES for lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate is O=C([O-])c1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nn1.[Li+].
What is the InChIKey of lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate?
The InChIKey is ULNDZNNQXUNEAA-QNTKWALQSA-M. The full InChI is InChI=1S/C19H19N7O3.Li/c27-17-3-1-2-8-26(17)14-6-7-16(20-10-14)22-12-4-5-13(9-12)23-19-21-11-15(18(28)29)24-25-19;/h1-3,6-8,10-13H,4-5,9H2,(H,20,22)(H,28,29)(H,21,23,25);/q;+1/p-1/t12-,13-;/m0./s1.
What are the key properties of lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate?
lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate has a molecular weight of 399.34 g/mol, XLogP of -2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate is sourced from PubChem (CID 171756462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).