2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile

C16H18N4O — CID 171413253

IUPAC2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile
SMILESCN1CCC[C@H]1COc1nc2ccncc2cc1CC#N
InChIInChI=1S/C16H18N4O/c1-20-8-2-3-14(20)11-21-16-12(4-6-17)9-13-10-18-7-5-15(13)19-16/h5,7,9-10,14H,2-4,8,11H2,1H3/t14-/m0/s1
InChIKeyVSRLEJAMAQWKMJ-AWEZNQCLSA-N
MW282.35 g/mol
LogP2.17
Rot. Bonds4

About 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile

2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile (PubChem CID 171413253) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile
PubChem CID171413253
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile
SMILESCN1CCC[C@H]1COc1nc2ccncc2cc1CC#N
InChIInChI=1S/C16H18N4O/c1-20-8-2-3-14(20)11-21-16-12(4-6-17)9-13-10-18-7-5-15(13)19-16/h5,7,9-10,14H,2-4,8,11H2,1H3/t14-/m0/s1
InChIKeyVSRLEJAMAQWKMJ-AWEZNQCLSA-N
XLogP2.17
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine
CID 175469197
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
3-[(1-methylpiperidin-2-yl)methoxy]quinoxalin-2-amine
CID 102988241
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
[6-methyl-2-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 65471691
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649
4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 166870743
(E)-but-2-enedioic acid;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 66629517

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile (CID 171413253) is 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile is CN1CCC[C@H]1COc1nc2ccncc2cc1CC#N.
What is the InChIKey of 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile?
The InChIKey is VSRLEJAMAQWKMJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-8-2-3-14(20)11-21-16-12(4-6-17)9-13-10-18-7-5-15(13)19-16/h5,7,9-10,14H,2-4,8,11H2,1H3/t14-/m0/s1.
What are the key properties of 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile?
2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile is sourced from PubChem (CID 171413253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).