N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide

C23H27N5O2 — CID 46487125

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)cc3)cn2)CC(C)O1
InChIInChI=1S/C23H27N5O2/c1-17-14-27(15-18(2)30-17)22-9-6-20(12-24-22)13-25-23(29)21-7-4-19(5-8-21)16-28-11-3-10-26-28/h3-12,17-18H,13-16H2,1-2H3,(H,25,29)
InChIKeyIBTASEFLALKKBP-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.87
Rot. Bonds6

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 46487125) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID46487125
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)cc3)cn2)CC(C)O1
InChIInChI=1S/C23H27N5O2/c1-17-14-27(15-18(2)30-17)22-9-6-20(12-24-22)13-25-23(29)21-7-4-19(5-8-21)16-28-11-3-10-26-28/h3-12,17-18H,13-16H2,1-2H3,(H,25,29)
InChIKeyIBTASEFLALKKBP-UHFFFAOYSA-N
XLogP2.87
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55839328
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 86933242
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 94526475
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55722359
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 46487125) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide is CC1CN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)cc3)cn2)CC(C)O1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is IBTASEFLALKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17-14-27(15-18(2)30-17)22-9-6-20(12-24-22)13-25-23(29)21-7-4-19(5-8-21)16-28-11-3-10-26-28/h3-12,17-18H,13-16H2,1-2H3,(H,25,29).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46487125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).