2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide

C16H21N5O2 — CID 94028646

IUPAC2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-13(12-21-7-3-6-18-21)19-16(22)14-4-2-5-17-15(14)20-8-10-23-11-9-20/h2-7,13H,8-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyRIMPKAZOUKQQEI-ZDUSSCGKSA-N
MW315.38 g/mol
LogP0.93
Rot. Bonds5

About 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide

2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 94028646) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
PubChem CID94028646
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-13(12-21-7-3-6-18-21)19-16(22)14-4-2-5-17-15(14)20-8-10-23-11-9-20/h2-7,13H,8-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyRIMPKAZOUKQQEI-ZDUSSCGKSA-N
XLogP0.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide (CID 94028646) is 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide is C[C@@H](Cn1cccn1)NC(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is RIMPKAZOUKQQEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13(12-21-7-3-6-18-21)19-16(22)14-4-2-5-17-15(14)20-8-10-23-11-9-20/h2-7,13H,8-12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide?
2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 94028646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).