2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

C19H19N7 — CID 56863641

IUPAC2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cnc(N3CCCCC3)nc2)cc(-c2ccc[nH]2)nc1N
InChIInChI=1S/C19H19N7/c20-10-15-14(9-17(25-18(15)21)16-5-4-6-22-16)13-11-23-19(24-12-13)26-7-2-1-3-8-26/h4-6,9,11-12,22H,1-3,7-8H2,(H2,21,25)
InChIKeyLABBOOVMYUJMTM-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 56863641) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID56863641
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cnc(N3CCCCC3)nc2)cc(-c2ccc[nH]2)nc1N
InChIInChI=1S/C19H19N7/c20-10-15-14(9-17(25-18(15)21)16-5-4-6-22-16)13-11-23-19(24-12-13)26-7-2-1-3-8-26/h4-6,9,11-12,22H,1-3,7-8H2,(H2,21,25)
InChIKeyLABBOOVMYUJMTM-UHFFFAOYSA-N
XLogP2.98
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 56863641) is 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is N#Cc1c(-c2cnc(N3CCCCC3)nc2)cc(-c2ccc[nH]2)nc1N.
What is the InChIKey of 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is LABBOOVMYUJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c20-10-15-14(9-17(25-18(15)21)16-5-4-6-22-16)13-11-23-19(24-12-13)26-7-2-1-3-8-26/h4-6,9,11-12,22H,1-3,7-8H2,(H2,21,25).
What are the key properties of 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56863641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).