6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile

C19H21N3O2 — CID 97070107

IUPAC6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(CNc2ccc(C#N)cn2)c(OC[C@H]2CCOC2)c1
InChIInChI=1S/C19H21N3O2/c1-14-2-4-17(11-22-19-5-3-15(9-20)10-21-19)18(8-14)24-13-16-6-7-23-12-16/h2-5,8,10,16H,6-7,11-13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyRIXQONVUMAITMD-INIZCTEOSA-N
MW323.40 g/mol
LogP3.29
Rot. Bonds6

About 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile

6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 97070107) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID97070107
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(CNc2ccc(C#N)cn2)c(OC[C@H]2CCOC2)c1
InChIInChI=1S/C19H21N3O2/c1-14-2-4-17(11-22-19-5-3-15(9-20)10-21-19)18(8-14)24-13-16-6-7-23-12-16/h2-5,8,10,16H,6-7,11-13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyRIXQONVUMAITMD-INIZCTEOSA-N
XLogP3.29
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971572
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
CID 133490921
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491288
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472317
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 86814910
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
CID 97055346
N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185

Frequently Asked Questions

What is the IUPAC name of 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile (CID 97070107) is 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile is Cc1ccc(CNc2ccc(C#N)cn2)c(OC[C@H]2CCOC2)c1.
What is the InChIKey of 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is RIXQONVUMAITMD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-2-4-17(11-22-19-5-3-15(9-20)10-21-19)18(8-14)24-13-16-6-7-23-12-16/h2-5,8,10,16H,6-7,11-13H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile?
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 97070107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).