(2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide

C22H37N5O4 — CID 90065137

IUPAC(2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide
SMILESCNC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2cc(CCCNOC)nc(OC)c2)O1
InChIInChI=1S/C22H37N5O4/c1-15(16-10-17(6-5-9-25-30-4)26-21(11-16)29-3)27(18-7-8-18)22(28)20-14-24-13-19(31-20)12-23-2/h10-11,15,18-20,23-25H,5-9,12-14H2,1-4H3/t15-,19-,20-/m1/s1
InChIKeyKZXUDTKMJUMPSJ-CDHQVMDDSA-N
MW435.57 g/mol
LogP0.80
Rot. Bonds12

About (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide

(2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide (PubChem CID 90065137) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide
PubChem CID90065137
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Name(2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide
SMILESCNC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2cc(CCCNOC)nc(OC)c2)O1
InChIInChI=1S/C22H37N5O4/c1-15(16-10-17(6-5-9-25-30-4)26-21(11-16)29-3)27(18-7-8-18)22(28)20-14-24-13-19(31-20)12-23-2/h10-11,15,18-20,23-25H,5-9,12-14H2,1-4H3/t15-,19-,20-/m1/s1
InChIKeyKZXUDTKMJUMPSJ-CDHQVMDDSA-N
XLogP0.80
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide?
The IUPAC name of (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide (CID 90065137) is (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide is CNC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2cc(CCCNOC)nc(OC)c2)O1.
What is the InChIKey of (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide?
The InChIKey is KZXUDTKMJUMPSJ-CDHQVMDDSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-15(16-10-17(6-5-9-25-30-4)26-21(11-16)29-3)27(18-7-8-18)22(28)20-14-24-13-19(31-20)12-23-2/h10-11,15,18-20,23-25H,5-9,12-14H2,1-4H3/t15-,19-,20-/m1/s1.
What are the key properties of (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide?
(2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 0.80, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-[3-(methoxyamino)propyl]-4-pyridinyl]ethyl]-6-(methylaminomethyl)morpholine-2-carboxamide is sourced from PubChem (CID 90065137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).