5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile

C18H21N3O — CID 133347394

IUPAC5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(CNc2ccc(C#N)nc2)c(OC(C)(C)C)c1
InChIInChI=1S/C18H21N3O/c1-13-5-6-14(17(9-13)22-18(2,3)4)11-20-16-8-7-15(10-19)21-12-16/h5-9,12,20H,11H2,1-4H3
InChIKeyMFVAWXBUXWBXRX-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.05
Rot. Bonds4

About 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile

5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 133347394) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID133347394
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(CNc2ccc(C#N)nc2)c(OC(C)(C)C)c1
InChIInChI=1S/C18H21N3O/c1-13-5-6-14(17(9-13)22-18(2,3)4)11-20-16-8-7-15(10-19)21-12-16/h5-9,12,20H,11H2,1-4H3
InChIKeyMFVAWXBUXWBXRX-UHFFFAOYSA-N
XLogP4.05
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487781
6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
CID 133419821
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
CID 133490921
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491293
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
5-[(2-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839122
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 79839784
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839971
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile (CID 133347394) is 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile is Cc1ccc(CNc2ccc(C#N)nc2)c(OC(C)(C)C)c1.
What is the InChIKey of 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is MFVAWXBUXWBXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-5-6-14(17(9-13)22-18(2,3)4)11-20-16-8-7-15(10-19)21-12-16/h5-9,12,20H,11H2,1-4H3.
What are the key properties of 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile?
5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133347394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).