5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide

C17H11Cl2FN4O — CID 139521985

IUPAC5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1cnc(Cl)cn1
InChIInChI=1S/C17H11Cl2FN4O/c18-12-4-11(5-13(20)6-12)3-10-1-2-16(23-7-10)24-17(25)14-8-22-15(19)9-21-14/h1-2,4-9H,3H2,(H,23,24,25)
InChIKeyLLTUVCIOCICMOG-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.16
Rot. Bonds4

About 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide

5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 139521985) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID139521985
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC Name5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1cnc(Cl)cn1
InChIInChI=1S/C17H11Cl2FN4O/c18-12-4-11(5-13(20)6-12)3-10-1-2-16(23-7-10)24-17(25)14-8-22-15(19)9-21-14/h1-2,4-9H,3H2,(H,23,24,25)
InChIKeyLLTUVCIOCICMOG-UHFFFAOYSA-N
XLogP4.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide (CID 139521985) is 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide is O=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is LLTUVCIOCICMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-12-4-11(5-13(20)6-12)3-10-1-2-16(23-7-10)24-17(25)14-8-22-15(19)9-21-14/h1-2,4-9H,3H2,(H,23,24,25).
What are the key properties of 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide?
5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 139521985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).