6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile

C20H19N3O — CID 133477779

IUPAC6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile
SMILESCC(C)Oc1ccc2ccccc2c1CNc1ccc(C#N)cn1
InChIInChI=1S/C20H19N3O/c1-14(2)24-19-9-8-16-5-3-4-6-17(16)18(19)13-23-20-10-7-15(11-21)12-22-20/h3-10,12,14H,13H2,1-2H3,(H,22,23)
InChIKeyNPIASJQDKJVWBD-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.51
Rot. Bonds5

About 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile

6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 133477779) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile
PubChem CID133477779
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile
SMILESCC(C)Oc1ccc2ccccc2c1CNc1ccc(C#N)cn1
InChIInChI=1S/C20H19N3O/c1-14(2)24-19-9-8-16-5-3-4-6-17(16)18(19)13-23-20-10-7-15(11-21)12-22-20/h3-10,12,14H,13H2,1-2H3,(H,22,23)
InChIKeyNPIASJQDKJVWBD-UHFFFAOYSA-N
XLogP4.51
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine
CID 133477792
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate
CID 36727184
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
2-[2-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81318485
6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133327002
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 133445330
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041228
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133474689

Frequently Asked Questions

What is the IUPAC name of 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile (CID 133477779) is 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile is CC(C)Oc1ccc2ccccc2c1CNc1ccc(C#N)cn1.
What is the InChIKey of 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is NPIASJQDKJVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14(2)24-19-9-8-16-5-3-4-6-17(16)18(19)13-23-20-10-7-15(11-21)12-22-20/h3-10,12,14H,13H2,1-2H3,(H,22,23).
What are the key properties of 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile?
6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133477779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).