3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

C19H16ClFN4O2 — CID 155209367

IUPAC3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C19H16ClFN4O2/c1-27-14-5-3-2-4-12(14)10-23-19(26)16-18(22)25-15(17(20)24-16)11-6-8-13(21)9-7-11/h2-9H,10H2,1H3,(H2,22,25)(H,23,26)
InChIKeyBACFSBJSLVCIHZ-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.46
Rot. Bonds5

About 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 155209367) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID155209367
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C19H16ClFN4O2/c1-27-14-5-3-2-4-12(14)10-23-19(26)16-18(22)25-15(17(20)24-16)11-6-8-13(21)9-7-11/h2-9H,10H2,1H3,(H2,22,25)(H,23,26)
InChIKeyBACFSBJSLVCIHZ-UHFFFAOYSA-N
XLogP3.46
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 155209367) is 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is BACFSBJSLVCIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-27-14-5-3-2-4-12(14)10-23-19(26)16-18(22)25-15(17(20)24-16)11-6-8-13(21)9-7-11/h2-9H,10H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155209367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).