2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H18N6 — CID 129476892

IUPAC2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCN(Cc1ncccn1)[C@@H]1CCN(c2ncccc2C#N)C1
InChIInChI=1S/C16H18N6/c1-21(12-15-18-7-3-8-19-15)14-5-9-22(11-14)16-13(10-17)4-2-6-20-16/h2-4,6-8,14H,5,9,11-12H2,1H3/t14-/m1/s1
InChIKeyVDTWQYMCWKTMNH-CQSZACIVSA-N
MW294.36 g/mol
LogP1.45
Rot. Bonds4

About 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 129476892) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID129476892
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCN(Cc1ncccn1)[C@@H]1CCN(c2ncccc2C#N)C1
InChIInChI=1S/C16H18N6/c1-21(12-15-18-7-3-8-19-15)14-5-9-22(11-14)16-13(10-17)4-2-6-20-16/h2-4,6-8,14H,5,9,11-12H2,1H3/t14-/m1/s1
InChIKeyVDTWQYMCWKTMNH-CQSZACIVSA-N
XLogP1.45
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 129476892) is 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile is CN(Cc1ncccn1)[C@@H]1CCN(c2ncccc2C#N)C1.
What is the InChIKey of 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VDTWQYMCWKTMNH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N6/c1-21(12-15-18-7-3-8-19-15)14-5-9-22(11-14)16-13(10-17)4-2-6-20-16/h2-4,6-8,14H,5,9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 129476892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).