N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

C26H27F2N3O4 — CID 160904623

IUPACN-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC[C@@H](CC(=O)c1cc(C(=O)NCc2ccc(F)cc2F)c2n1CCOC2)c1cccc(OC)n1
InChIInChI=1S/C26H27F2N3O4/c1-3-16(21-5-4-6-25(30-21)34-2)11-24(32)22-13-19(23-15-35-10-9-31(22)23)26(33)29-14-17-7-8-18(27)12-20(17)28/h4-8,12-13,16H,3,9-11,14-15H2,1-2H3,(H,29,33)/t16-/m0/s1
InChIKeySPYVMZYXDPBLLH-INIZCTEOSA-N
MW483.52 g/mol
LogP4.40
Rot. Bonds9

About N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 160904623) has the molecular formula C26H27F2N3O4 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID160904623
Molecular FormulaC26H27F2N3O4
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC[C@@H](CC(=O)c1cc(C(=O)NCc2ccc(F)cc2F)c2n1CCOC2)c1cccc(OC)n1
InChIInChI=1S/C26H27F2N3O4/c1-3-16(21-5-4-6-25(30-21)34-2)11-24(32)22-13-19(23-15-35-10-9-31(22)23)26(33)29-14-17-7-8-18(27)12-20(17)28/h4-8,12-13,16H,3,9-11,14-15H2,1-2H3,(H,29,33)/t16-/m0/s1
InChIKeySPYVMZYXDPBLLH-INIZCTEOSA-N
XLogP4.40
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-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 N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 160904623) is N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is CC[C@@H](CC(=O)c1cc(C(=O)NCc2ccc(F)cc2F)c2n1CCOC2)c1cccc(OC)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is SPYVMZYXDPBLLH-INIZCTEOSA-N. The full InChI is InChI=1S/C26H27F2N3O4/c1-3-16(21-5-4-6-25(30-21)34-2)11-24(32)22-13-19(23-15-35-10-9-31(22)23)26(33)29-14-17-7-8-18(27)12-20(17)28/h4-8,12-13,16H,3,9-11,14-15H2,1-2H3,(H,29,33)/t16-/m0/s1.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6-[(3S)-3-(6-methoxy-2-pyridinyl)pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 160904623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).