methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate

C24H39N5O5 — CID 118313256

IUPACmethyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@H](C)N(C(=O)[C@H]2CNC[C@@H](CN(C)C)O2)C2CC2)cc(OC)n1
InChIInChI=1S/C24H39N5O5/c1-16(17-11-18(27-22(12-17)32-4)7-6-10-26-24(31)33-5)29(19-8-9-19)23(30)21-14-25-13-20(34-21)15-28(2)3/h11-12,16,19-21,25H,6-10,13-15H2,1-5H3,(H,26,31)/t16-,20-,21+/m0/s1
InChIKeyRIVHDQQLYNOSKM-ORYQWCPZSA-N
MW477.61 g/mol
LogP1.35
Rot. Bonds11

About methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate

methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate (PubChem CID 118313256) has the molecular formula C24H39N5O5 and a molecular weight of 477.61 g/mol. Its IUPAC name is methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate
PubChem CID118313256
Molecular FormulaC24H39N5O5
Molecular Weight477.61 g/mol
Exact Mass477.30
IUPAC Namemethyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@H](C)N(C(=O)[C@H]2CNC[C@@H](CN(C)C)O2)C2CC2)cc(OC)n1
InChIInChI=1S/C24H39N5O5/c1-16(17-11-18(27-22(12-17)32-4)7-6-10-26-24(31)33-5)29(19-8-9-19)23(30)21-14-25-13-20(34-21)15-28(2)3/h11-12,16,19-21,25H,6-10,13-15H2,1-5H3,(H,26,31)/t16-,20-,21+/m0/s1
InChIKeyRIVHDQQLYNOSKM-ORYQWCPZSA-N
XLogP1.35
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate 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 methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate?
The IUPAC name of methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate (CID 118313256) is methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate is COC(=O)NCCCc1cc([C@H](C)N(C(=O)[C@H]2CNC[C@@H](CN(C)C)O2)C2CC2)cc(OC)n1.
What is the InChIKey of methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate?
The InChIKey is RIVHDQQLYNOSKM-ORYQWCPZSA-N. The full InChI is InChI=1S/C24H39N5O5/c1-16(17-11-18(27-22(12-17)32-4)7-6-10-26-24(31)33-5)29(19-8-9-19)23(30)21-14-25-13-20(34-21)15-28(2)3/h11-12,16,19-21,25H,6-10,13-15H2,1-5H3,(H,26,31)/t16-,20-,21+/m0/s1.
What are the key properties of methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate?
methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate has a molecular weight of 477.61 g/mol, XLogP of 1.35, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate is sourced from PubChem (CID 118313256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).