(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide

C18H25N5O2 — CID 99827535

IUPAC(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@@H](NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)c1ccncc1
InChIInChI=1S/C18H25N5O2/c1-3-16(14-5-7-19-8-6-14)21-18(24)22-9-10-25-17(13-22)15-11-20-23(4-2)12-15/h5-8,11-12,16-17H,3-4,9-10,13H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyMVSRQJDZDXWIPZ-SJORKVTESA-N
MW343.43 g/mol
LogP2.53
Rot. Bonds5

About (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide

(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide (PubChem CID 99827535) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
PubChem CID99827535
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@@H](NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)c1ccncc1
InChIInChI=1S/C18H25N5O2/c1-3-16(14-5-7-19-8-6-14)21-18(24)22-9-10-25-17(13-22)15-11-20-23(4-2)12-15/h5-8,11-12,16-17H,3-4,9-10,13H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyMVSRQJDZDXWIPZ-SJORKVTESA-N
XLogP2.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide (CID 99827535) is (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide is CC[C@@H](NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)c1ccncc1.
What is the InChIKey of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
The InChIKey is MVSRQJDZDXWIPZ-SJORKVTESA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-16(14-5-7-19-8-6-14)21-18(24)22-9-10-25-17(13-22)15-11-20-23(4-2)12-15/h5-8,11-12,16-17H,3-4,9-10,13H2,1-2H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide is sourced from PubChem (CID 99827535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).