2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile

C14H19N3O — CID 65497515

IUPAC2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)Oc1ncccc1NCC1(CC#N)CC1
InChIInChI=1S/C14H19N3O/c1-11(2)18-13-12(4-3-9-16-13)17-10-14(5-6-14)7-8-15/h3-4,9,11,17H,5-7,10H2,1-2H3
InChIKeyKWIKJLAXXNTQAH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.97
Rot. Bonds6

About 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65497515) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65497515
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)Oc1ncccc1NCC1(CC#N)CC1
InChIInChI=1S/C14H19N3O/c1-11(2)18-13-12(4-3-9-16-13)17-10-14(5-6-14)7-8-15/h3-4,9,11,17H,5-7,10H2,1-2H3
InChIKeyKWIKJLAXXNTQAH-UHFFFAOYSA-N
XLogP2.97
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile (CID 65497515) is 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile is CC(C)Oc1ncccc1NCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is KWIKJLAXXNTQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)18-13-12(4-3-9-16-13)17-10-14(5-6-14)7-8-15/h3-4,9,11,17H,5-7,10H2,1-2H3.
What are the key properties of 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).