N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

C18H17ClFN5O2 — CID 56593478

IUPACN-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C1=O
InChIInChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1
InChIKeyIBPGEEKFYIPLRV-SFHVURJKSA-N
MW389.82 g/mol
LogP2.17
Rot. Bonds3

About N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (PubChem CID 56593478) has the molecular formula C18H17ClFN5O2 and a molecular weight of 389.82 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
PubChem CID56593478
Molecular FormulaC18H17ClFN5O2
Molecular Weight389.82 g/mol
Exact Mass389.11
IUPAC NameN-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C1=O
InChIInChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1
InChIKeyIBPGEEKFYIPLRV-SFHVURJKSA-N
XLogP2.17
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (CID 56593478) is N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is CN1C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)C1=O.
What is the InChIKey of N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is IBPGEEKFYIPLRV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 389.82 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 56593478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).