2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

C17H20N6 — CID 95146122

IUPAC2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCc1cnc(CN2CC[C@@H](CNc3ncccc3C#N)C2)cn1
InChIInChI=1S/C17H20N6/c1-13-8-21-16(10-20-13)12-23-6-4-14(11-23)9-22-17-15(7-18)3-2-5-19-17/h2-3,5,8,10,14H,4,6,9,11-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyHIKSLHXIIKBYOG-AWEZNQCLSA-N
MW308.39 g/mol
LogP1.99
Rot. Bonds5

About 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 95146122) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID95146122
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCc1cnc(CN2CC[C@@H](CNc3ncccc3C#N)C2)cn1
InChIInChI=1S/C17H20N6/c1-13-8-21-16(10-20-13)12-23-6-4-14(11-23)9-22-17-15(7-18)3-2-5-19-17/h2-3,5,8,10,14H,4,6,9,11-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyHIKSLHXIIKBYOG-AWEZNQCLSA-N
XLogP1.99
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 95146122) is 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is Cc1cnc(CN2CC[C@@H](CNc3ncccc3C#N)C2)cn1.
What is the InChIKey of 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is HIKSLHXIIKBYOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6/c1-13-8-21-16(10-20-13)12-23-6-4-14(11-23)9-22-17-15(7-18)3-2-5-19-17/h2-3,5,8,10,14H,4,6,9,11-12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95146122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).