(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide

C18H29N5O2 — CID 95176272

IUPAC(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H](C)O1
InChIInChI=1S/C18H29N5O2/c1-14-12-23(13-15(2)25-14)18(24)20-11-16-5-4-6-19-17(16)22-9-7-21(3)8-10-22/h4-6,14-15H,7-13H2,1-3H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyILKJPYOAQKOYTK-GJZGRUSLSA-N
MW347.46 g/mol
LogP1.15
Rot. Bonds3

About (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide

(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 95176272) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID95176272
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H](C)O1
InChIInChI=1S/C18H29N5O2/c1-14-12-23(13-15(2)25-14)18(24)20-11-16-5-4-6-19-17(16)22-9-7-21(3)8-10-22/h4-6,14-15H,7-13H2,1-3H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyILKJPYOAQKOYTK-GJZGRUSLSA-N
XLogP1.15
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144466
2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide
CID 97096798
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119902780
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 95762764
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide (CID 95176272) is (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is ILKJPYOAQKOYTK-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-12-23(13-15(2)25-14)18(24)20-11-16-5-4-6-19-17(16)22-9-7-21(3)8-10-22/h4-6,14-15H,7-13H2,1-3H3,(H,20,24)/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95176272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).