(2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide

C19H33N5O3 — CID 90065190

IUPAC(2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](COC)O2)C2CC2)n[nH]1
InChIInChI=1S/C19H33N5O3/c1-13(17-9-14(22-23-17)5-4-8-20-2)24(15-6-7-15)19(25)18-11-21-10-16(27-18)12-26-3/h9,13,15-16,18,20-21H,4-8,10-12H2,1-3H3,(H,22,23)/t13-,16+,18-/m1/s1
InChIKeyVPOOGRGDSJDAIT-RPVQJOFSSA-N
MW379.51 g/mol
LogP0.62
Rot. Bonds10

About (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide

(2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065190) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide
PubChem CID90065190
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC Name(2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](COC)O2)C2CC2)n[nH]1
InChIInChI=1S/C19H33N5O3/c1-13(17-9-14(22-23-17)5-4-8-20-2)24(15-6-7-15)19(25)18-11-21-10-16(27-18)12-26-3/h9,13,15-16,18,20-21H,4-8,10-12H2,1-3H3,(H,22,23)/t13-,16+,18-/m1/s1
InChIKeyVPOOGRGDSJDAIT-RPVQJOFSSA-N
XLogP0.62
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide (CID 90065190) is (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide is CNCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](COC)O2)C2CC2)n[nH]1.
What is the InChIKey of (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is VPOOGRGDSJDAIT-RPVQJOFSSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-13(17-9-14(22-23-17)5-4-8-20-2)24(15-6-7-15)19(25)18-11-21-10-16(27-18)12-26-3/h9,13,15-16,18,20-21H,4-8,10-12H2,1-3H3,(H,22,23)/t13-,16+,18-/m1/s1.
What are the key properties of (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
(2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).