2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile

C14H19N3O — CID 164639828

IUPAC2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile
SMILESCC(C)[C@H](O)C1(CNc2ncccc2C#N)CC1
InChIInChI=1S/C14H19N3O/c1-10(2)12(18)14(5-6-14)9-17-13-11(8-15)4-3-7-16-13/h3-4,7,10,12,18H,5-6,9H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyLLUUTLCFVGBLEO-LBPRGKRZSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds5

About 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile

2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile (PubChem CID 164639828) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile
PubChem CID164639828
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile
SMILESCC(C)[C@H](O)C1(CNc2ncccc2C#N)CC1
InChIInChI=1S/C14H19N3O/c1-10(2)12(18)14(5-6-14)9-17-13-11(8-15)4-3-7-16-13/h3-4,7,10,12,18H,5-6,9H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyLLUUTLCFVGBLEO-LBPRGKRZSA-N
XLogP2.16
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile (CID 164639828) is 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile is CC(C)[C@H](O)C1(CNc2ncccc2C#N)CC1.
What is the InChIKey of 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is LLUUTLCFVGBLEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)12(18)14(5-6-14)9-17-13-11(8-15)4-3-7-16-13/h3-4,7,10,12,18H,5-6,9H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile?
2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 164639828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).