(2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

C17H24N6O2 — CID 164635676

IUPAC(2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
SMILESCCNc1cc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccn1
InChIInChI=1S/C17H24N6O2/c1-2-18-16-10-14(4-6-19-16)11-20-17(24)22-8-9-25-15(12-22)13-23-7-3-5-21-23/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,18,19)(H,20,24)/t15-/m1/s1
InChIKeyPOWSSBPXRQIPMG-OAHLLOKOSA-N
MW344.42 g/mol
LogP1.32
Rot. Bonds6

About (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

(2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide (PubChem CID 164635676) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
PubChem CID164635676
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
SMILESCCNc1cc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccn1
InChIInChI=1S/C17H24N6O2/c1-2-18-16-10-14(4-6-19-16)11-20-17(24)22-8-9-25-15(12-22)13-23-7-3-5-21-23/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,18,19)(H,20,24)/t15-/m1/s1
InChIKeyPOWSSBPXRQIPMG-OAHLLOKOSA-N
XLogP1.32
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide (CID 164635676) is (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide is CCNc1cc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccn1.
What is the InChIKey of (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
The InChIKey is POWSSBPXRQIPMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-18-16-10-14(4-6-19-16)11-20-17(24)22-8-9-25-15(12-22)13-23-7-3-5-21-23/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,18,19)(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
(2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(ethylamino)-4-pyridinyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 164635676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).