2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

C18H20N6 — CID 171993359

IUPAC2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(N(c3ccncn3)C3CC3)C2)n1
InChIInChI=1S/C18H20N6/c1-13-2-3-14(10-19)18(22-13)23-9-7-16(11-23)24(15-4-5-15)17-6-8-20-12-21-17/h2-3,6,8,12,15-16H,4-5,7,9,11H2,1H3
InChIKeyRSYZGNCSSUGDJU-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.30
Rot. Bonds4

About 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 171993359) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID171993359
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(N(c3ccncn3)C3CC3)C2)n1
InChIInChI=1S/C18H20N6/c1-13-2-3-14(10-19)18(22-13)23-9-7-16(11-23)24(15-4-5-15)17-6-8-20-12-21-17/h2-3,6,8,12,15-16H,4-5,7,9,11H2,1H3
InChIKeyRSYZGNCSSUGDJU-UHFFFAOYSA-N
XLogP2.30
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 171993359) is 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCC(N(c3ccncn3)C3CC3)C2)n1.
What is the InChIKey of 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is RSYZGNCSSUGDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-2-3-14(10-19)18(22-13)23-9-7-16(11-23)24(15-4-5-15)17-6-8-20-12-21-17/h2-3,6,8,12,15-16H,4-5,7,9,11H2,1H3.
What are the key properties of 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 171993359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).