6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile

C17H22N4O2 — CID 128973859

IUPAC6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
SMILESCN(CC1CC1)CC1CN(C(=O)c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C17H22N4O2/c1-20(10-13-2-3-13)11-15-12-21(6-7-23-15)17(22)16-5-4-14(8-18)9-19-16/h4-5,9,13,15H,2-3,6-7,10-12H2,1H3
InChIKeyAMMNZIBCEAONQX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.14
Rot. Bonds5

About 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile

6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile (PubChem CID 128973859) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
PubChem CID128973859
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
SMILESCN(CC1CC1)CC1CN(C(=O)c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C17H22N4O2/c1-20(10-13-2-3-13)11-15-12-21(6-7-23-15)17(22)16-5-4-14(8-18)9-19-16/h4-5,9,13,15H,2-3,6-7,10-12H2,1H3
InChIKeyAMMNZIBCEAONQX-UHFFFAOYSA-N
XLogP1.14
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]benzonitrile
CID 129343097
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 129336719
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 129334520
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63770699
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342481
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342482
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile (CID 128973859) is 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile is CN(CC1CC1)CC1CN(C(=O)c2ccc(C#N)cn2)CCO1.
What is the InChIKey of 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile?
The InChIKey is AMMNZIBCEAONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(10-13-2-3-13)11-15-12-21(6-7-23-15)17(22)16-5-4-14(8-18)9-19-16/h4-5,9,13,15H,2-3,6-7,10-12H2,1H3.
What are the key properties of 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile?
6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 128973859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).