N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide

C18H17Cl2F4N5O2 — CID 88602760

IUPACN-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide
SMILESCCO[C@](C)(/C(N)=N/Cc1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F)C(F)(F)F
InChIInChI=1S/C18H17Cl2F4N5O2/c1-3-31-17(2,18(22,23)24)16(25)27-8-12-11(21)4-5-13(28-12)29-15(30)14-10(20)6-9(19)7-26-14/h4-7H,3,8H2,1-2H3,(H2,25,27)(H,28,29,30)/t17-/m1/s1
InChIKeyARAZYPMNGAHODH-QGZVFWFLSA-N
MW482.27 g/mol
LogP4.39
Rot. Bonds7

About N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide

N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide (PubChem CID 88602760) has the molecular formula C18H17Cl2F4N5O2 and a molecular weight of 482.27 g/mol. Its IUPAC name is N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide
PubChem CID88602760
Molecular FormulaC18H17Cl2F4N5O2
Molecular Weight482.27 g/mol
Exact Mass481.07
IUPAC NameN-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide
SMILESCCO[C@](C)(/C(N)=N/Cc1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F)C(F)(F)F
InChIInChI=1S/C18H17Cl2F4N5O2/c1-3-31-17(2,18(22,23)24)16(25)27-8-12-11(21)4-5-13(28-12)29-15(30)14-10(20)6-9(19)7-26-14/h4-7H,3,8H2,1-2H3,(H2,25,27)(H,28,29,30)/t17-/m1/s1
InChIKeyARAZYPMNGAHODH-QGZVFWFLSA-N
XLogP4.39
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.27
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide?
The IUPAC name of N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide (CID 88602760) is N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide?
The canonical SMILES for N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide is CCO[C@](C)(/C(N)=N/Cc1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F)C(F)(F)F.
What is the InChIKey of N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide?
The InChIKey is ARAZYPMNGAHODH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17Cl2F4N5O2/c1-3-31-17(2,18(22,23)24)16(25)27-8-12-11(21)4-5-13(28-12)29-15(30)14-10(20)6-9(19)7-26-14/h4-7H,3,8H2,1-2H3,(H2,25,27)(H,28,29,30)/t17-/m1/s1.
What are the key properties of N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide?
N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide has a molecular weight of 482.27 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[[(2R)-1-amino-2-ethoxy-3,3,3-trifluoro-2-methylpropylidene]amino]methyl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide is sourced from PubChem (CID 88602760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).