4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide

C16H21N5O2 — CID 133443391

IUPAC4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CN(c3ccncc3C(N)=O)CCO2)n1
InChIInChI=1S/C16H21N5O2/c1-11-7-12(2)21(19-11)10-13-9-20(5-6-23-13)15-3-4-18-8-14(15)16(17)22/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,17,22)
InChIKeyQOGIYPIRYAZMSA-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.90
Rot. Bonds4

About 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide

4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide (PubChem CID 133443391) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
PubChem CID133443391
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CN(c3ccncc3C(N)=O)CCO2)n1
InChIInChI=1S/C16H21N5O2/c1-11-7-12(2)21(19-11)10-13-9-20(5-6-23-13)15-3-4-18-8-14(15)16(17)22/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,17,22)
InChIKeyQOGIYPIRYAZMSA-UHFFFAOYSA-N
XLogP0.90
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443384
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
CID 95274004
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704456
4-amino-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pentan-1-one
CID 120565469
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 95273980
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895534
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 86895544
2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine
CID 81211136
(2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95274101

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide (CID 133443391) is 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide is Cc1cc(C)n(CC2CN(c3ccncc3C(N)=O)CCO2)n1.
What is the InChIKey of 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is QOGIYPIRYAZMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-7-12(2)21(19-11)10-13-9-20(5-6-23-13)15-3-4-18-8-14(15)16(17)22/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,17,22).
What are the key properties of 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide?
4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133443391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).