N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide

C29H28FN7O4 — CID 177374643

IUPACN-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cn1
InChIInChI=1S/C29H28FN7O4/c1-18(30)25-16-41-29(39)37(25)26-11-13-32-28(36-26)34-19(2)24-10-7-21(14-33-24)20-5-8-22(9-6-20)35-27(38)17-40-23-4-3-12-31-15-23/h3-15,18-19,25H,16-17H2,1-2H3,(H,35,38)(H,32,34,36)/t18-,19-,25+/m0/s1
InChIKeyKDZMIZXYYSSKGP-XHNVNVPESA-N
MW557.59 g/mol
LogP4.81
Rot. Bonds10

About N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide

N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide (PubChem CID 177374643) has the molecular formula C29H28FN7O4 and a molecular weight of 557.59 g/mol. Its IUPAC name is N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide
PubChem CID177374643
Molecular FormulaC29H28FN7O4
Molecular Weight557.59 g/mol
Exact Mass557.22
IUPAC NameN-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cn1
InChIInChI=1S/C29H28FN7O4/c1-18(30)25-16-41-29(39)37(25)26-11-13-32-28(36-26)34-19(2)24-10-7-21(14-33-24)20-5-8-22(9-6-20)35-27(38)17-40-23-4-3-12-31-15-23/h3-15,18-19,25H,16-17H2,1-2H3,(H,35,38)(H,32,34,36)/t18-,19-,25+/m0/s1
InChIKeyKDZMIZXYYSSKGP-XHNVNVPESA-N
XLogP4.81
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide (CID 177374643) is N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cn1.
What is the InChIKey of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide?
The InChIKey is KDZMIZXYYSSKGP-XHNVNVPESA-N. The full InChI is InChI=1S/C29H28FN7O4/c1-18(30)25-16-41-29(39)37(25)26-11-13-32-28(36-26)34-19(2)24-10-7-21(14-33-24)20-5-8-22(9-6-20)35-27(38)17-40-23-4-3-12-31-15-23/h3-15,18-19,25H,16-17H2,1-2H3,(H,35,38)(H,32,34,36)/t18-,19-,25+/m0/s1.
What are the key properties of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide?
N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide has a molecular weight of 557.59 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 177374643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).