6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

C17H18N6 — CID 139023243

IUPAC6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1
InChIInChI=1S/C17H18N6/c18-10-13-1-4-16(19-11-13)22-5-7-23(8-6-22)17-9-15(14-2-3-14)20-12-21-17/h1,4,9,11-12,14H,2-3,5-8H2
InChIKeyULVIWOWJFTUCKQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.95
Rot. Bonds3

About 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 139023243) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID139023243
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1
InChIInChI=1S/C17H18N6/c18-10-13-1-4-16(19-11-13)22-5-7-23(8-6-22)17-9-15(14-2-3-14)20-12-21-17/h1,4,9,11-12,14H,2-3,5-8H2
InChIKeyULVIWOWJFTUCKQ-UHFFFAOYSA-N
XLogP1.95
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139022902
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155980578
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155798288
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 139023243) is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1.
What is the InChIKey of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ULVIWOWJFTUCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c18-10-13-1-4-16(19-11-13)22-5-7-23(8-6-22)17-9-15(14-2-3-14)20-12-21-17/h1,4,9,11-12,14H,2-3,5-8H2.
What are the key properties of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 139023243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).