N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide

C18H14ClFN4O — CID 139521730

IUPACN-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)cn1
InChIInChI=1S/C18H14ClFN4O/c1-11-8-22-16(10-21-11)18(25)24-17-5-3-13(9-23-17)6-12-2-4-15(20)14(19)7-12/h2-5,7-10H,6H2,1H3,(H,23,24,25)
InChIKeyDNUQDLVBZDZKCX-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.82
Rot. Bonds4

About N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide

N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide (PubChem CID 139521730) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide
PubChem CID139521730
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)cn1
InChIInChI=1S/C18H14ClFN4O/c1-11-8-22-16(10-21-11)18(25)24-17-5-3-13(9-23-17)6-12-2-4-15(20)14(19)7-12/h2-5,7-10H,6H2,1H3,(H,23,24,25)
InChIKeyDNUQDLVBZDZKCX-UHFFFAOYSA-N
XLogP3.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide (CID 139521730) is N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)cn1.
What is the InChIKey of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is DNUQDLVBZDZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-11-8-22-16(10-21-11)18(25)24-17-5-3-13(9-23-17)6-12-2-4-15(20)14(19)7-12/h2-5,7-10H,6H2,1H3,(H,23,24,25).
What are the key properties of N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-fluorophenyl)methyl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 139521730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).